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Anilides

Organic compounds that are acyl derivatives of aniline; acyl groups contain a double-bonded oxygen atom and an alkyl group. These compounds are also known as phenylamides.

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1

3-Acetamidobenzeneboronic acid, 98%

CAS: 78887-39-5 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.982 MDL Number: MFCD00236013 InChI Key: IBTSWKLSEOGJGJ-UHFFFAOYSA-N Synonym: 3-acetylaminophenylboronic acid,3-acetamidophenyl boronic acid,3-acetamidobenzeneboronic acid,3-acetylaminophenyl boronic acid,m-acetamidophenylboronic acid,boronic acid, 3-acetylamino phenyl,n-3-dihydroxyboranyl phenyl acetamide,3-acetylamino phenylboronic acid PubChem CID: 157274 IUPAC Name: (3-acetamidophenyl)boronic acid SMILES: B(C1=CC(=CC=C1)NC(=O)C)(O)O

PubChem CID 157274
CAS 78887-39-5
Molecular Weight (g/mol) 178.982
MDL Number MFCD00236013
SMILES B(C1=CC(=CC=C1)NC(=O)C)(O)O
Synonym 3-acetylaminophenylboronic acid,3-acetamidophenyl boronic acid,3-acetamidobenzeneboronic acid,3-acetylaminophenyl boronic acid,m-acetamidophenylboronic acid,boronic acid, 3-acetylamino phenyl,n-3-dihydroxyboranyl phenyl acetamide,3-acetylamino phenylboronic acid
IUPAC Name (3-acetamidophenyl)boronic acid
InChI Key IBTSWKLSEOGJGJ-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
2

4-Acetamidobenzeneboronic acid, 96%

CAS: 101251-09-6 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD02179451 InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N Synonym: 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl PubChem CID: 2734657 IUPAC Name: (4-acetamidophenyl)boronic acid SMILES: CC(=O)NC1=CC=C(C=C1)B(O)O

PubChem CID 2734657
CAS 101251-09-6
Molecular Weight (g/mol) 178.98
MDL Number MFCD02179451
SMILES CC(=O)NC1=CC=C(C=C1)B(O)O
Synonym 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl
IUPAC Name (4-acetamidophenyl)boronic acid
InChI Key VYEWTHXZHHATTA-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
3

4-Acetamidobenzenesulfonic Acid, TRC

CAS: 121-62-0 Molecular Formula: C8 H9 N O4 S Molecular Weight (g/mol): 215.23 Synonym: Benzenesulfonic acid, 4-(acetylamino)-,Sulfanilic acid, N-acetyl- (6CI,7CI,8CI),4-(Acetylamino)benzenesulfonic acid,4-Acetamidobenzenesulfonic acid,4-Acetylaminobenzenesulfonic acid,Acetanilide-p-sulfonic acid,N-Acetylsulfanilic acid,N-p-Acetylanilinosulfonic acid,N4-Acetylsulfanilic acid,p-Acetamidobenzenesulfonic acid,p-Acetylaminobenzenesulfonic acid,4-(Acetylamino)benzene-1-sulfonic acid IUPAC Name: 4-acetamidobenzenesulfonic acid SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)O

CAS 121-62-0
Molecular Weight (g/mol) 215.23
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)O
Synonym Benzenesulfonic acid, 4-(acetylamino)-,Sulfanilic acid, N-acetyl- (6CI,7CI,8CI),4-(Acetylamino)benzenesulfonic acid,4-Acetamidobenzenesulfonic acid,4-Acetylaminobenzenesulfonic acid,Acetanilide-p-sulfonic acid,N-Acetylsulfanilic acid,N-p-Acetylanilinosulfonic acid,N4-Acetylsulfanilic acid,p-Acetamidobenzenesulfonic acid,p-Acetylaminobenzenesulfonic acid,4-(Acetylamino)benzene-1-sulfonic acid
IUPAC Name 4-acetamidobenzenesulfonic acid
Molecular Formula C8 H9 N O4 S
4

Ivacaftor Carboxylic Acid, TRC

CAS: 1246213-24-0 Molecular Formula: C24 H26 N2 O5 Molecular Weight (g/mol): 422.47 Synonym: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethyl-,4-[[(1,4-Dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethylbenzeneacetic acid,Ivacaftor carboxylic acid,Ivacaftor impurity 1,2-(5-tert-Butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid IUPAC Name: 2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid SMILES: CC(C)(C)c1cc(c(O)cc1NC(=O)C2=CNc3ccccc3C2=O)C(C)(C)C(=O)O

CAS 1246213-24-0
Molecular Weight (g/mol) 422.47
SMILES CC(C)(C)c1cc(c(O)cc1NC(=O)C2=CNc3ccccc3C2=O)C(C)(C)C(=O)O
Synonym Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethyl-,4-[[(1,4-Dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethylbenzeneacetic acid,Ivacaftor carboxylic acid,Ivacaftor impurity 1,2-(5-tert-Butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid
IUPAC Name 2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
Molecular Formula C24 H26 N2 O5
5

Phthalanilic Acid (~90%), TRC

CAS: 4727-29-1 Molecular Formula: C14 H11 N O3 Molecular Weight (g/mol): 241.24 Synonym: Benzoic acid, 2-[(phenylamino)carbonyl]- (9CI, ACI),2-[(Phenylamino)carbonyl]benzoic acid (ACI),Phthalanilic acid (6CI, 7CI, 8CI),2-(Anilinocarbonyl)benzoic acid,2-(Phenylcarbamoyl)benzoic acid,2-Carboxybenzanilide,Lemax,N-Phenylphthalamic acid,N-Phenylphthalamidic acid,Nevirol,NSC 26414,o-(Phenylcarbamoyl)benzoic acid,Phthalic acid monoanilide,Phthalic monoanilide,Phthalomonoanilide IUPAC Name: 2-(phenylcarbamoyl)benzoic acid SMILES: OC(=O)c1ccccc1C(=O)Nc2ccccc2

CAS 4727-29-1
Molecular Weight (g/mol) 241.24
SMILES OC(=O)c1ccccc1C(=O)Nc2ccccc2
Synonym Benzoic acid, 2-[(phenylamino)carbonyl]- (9CI, ACI),2-[(Phenylamino)carbonyl]benzoic acid (ACI),Phthalanilic acid (6CI, 7CI, 8CI),2-(Anilinocarbonyl)benzoic acid,2-(Phenylcarbamoyl)benzoic acid,2-Carboxybenzanilide,Lemax,N-Phenylphthalamic acid,N-Phenylphthalamidic acid,Nevirol,NSC 26414,o-(Phenylcarbamoyl)benzoic acid,Phthalic acid monoanilide,Phthalic monoanilide,Phthalomonoanilide
IUPAC Name 2-(phenylcarbamoyl)benzoic acid
Molecular Formula C14 H11 N O3
6

4-Chloro-2-(4-chlorobenzoyl)-1-(4-methoxyphenyl)hydrazide Benzoic Acid, TRC

CAS: 402849-27-8 Molecular Formula: C21H16Cl2N2O3 Molecular Weight (g/mol): 415.27 Synonym: Benzoic acid, 4-chloro-, 2-(4-chlorobenzoyl)-1-(4-methoxyphenyl)hydrazide,4-Chloro-N'-(4-chlorobenzoyl)-N-(4-methoxyphenyl)benzohydrazide,Indometacin dibenzylate IUPAC Name: 4-chloro-N'-(4-chlorobenzoyl)-N'-(4-methoxyphenyl)benzohydrazide SMILES: COc1ccc(cc1)N(NC(=O)c2ccc(Cl)cc2)C(=O)c3ccc(Cl)cc3

CAS 402849-27-8
Molecular Weight (g/mol) 415.27
SMILES COc1ccc(cc1)N(NC(=O)c2ccc(Cl)cc2)C(=O)c3ccc(Cl)cc3
Synonym Benzoic acid, 4-chloro-, 2-(4-chlorobenzoyl)-1-(4-methoxyphenyl)hydrazide,4-Chloro-N'-(4-chlorobenzoyl)-N-(4-methoxyphenyl)benzohydrazide,Indometacin dibenzylate
IUPAC Name 4-chloro-N'-(4-chlorobenzoyl)-N'-(4-methoxyphenyl)benzohydrazide
Molecular Formula C21H16Cl2N2O3
8

EGTA, TRC

CAS: 67-42-5 Molecular Formula: C14 H24 N2 O10 Molecular Weight (g/mol): 380.35 Synonym: EGTA,2,2'-Ethylenedioxybis(ethylamine)-N,N,N',N'-tetraacetic Acid,3,12-Bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic Acid,3,6-Dioxaoctane-1,8-diamine-N,N,N',N'-tetraacetic Acid,Chelest GEA,EBONTA,EDGA,EGTA,Egtazic Acid,Ethylene Glycol Bis(2-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid,Ethylene Glycol Bis(β-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid,GEDTA,NSC 615010,O,O'-Bis(2-aminoethyl)ethylene Glycol-N,N,N',N'-tetraacetic Acid,[Ethylenebis(oxyethylenenitrilo)]tetraacetic Acid,[Ethylenebis(oxyethylenenitrilo)]tetraacetic Acid IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O

CAS 67-42-5
Molecular Weight (g/mol) 380.35
SMILES OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym EGTA,2,2'-Ethylenedioxybis(ethylamine)-N,N,N',N'-tetraacetic Acid,3,12-Bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic Acid,3,6-Dioxaoctane-1,8-diamine-N,N,N',N'-tetraacetic Acid,Chelest GEA,EBONTA,EDGA,EGTA,Egtazic Acid,Ethylene Glycol Bis(2-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid,Ethylene Glycol Bis(β-aminoethyl Ether)-N,N,N',N'-tetraacetic Acid,GEDTA,NSC 615010,O,O'-Bis(2-aminoethyl)ethylene Glycol-N,N,N',N'-tetraacetic Acid,[Ethylenebis(oxyethylenenitrilo)]tetraacetic Acid,[Ethylenebis(oxyethylenenitrilo)]tetraacetic Acid
IUPAC Name 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
Molecular Formula C14 H24 N2 O10
9

Kartogenin, TRC

CAS: 4727-31-5 Molecular Formula: C20 H15 N O3 Molecular Weight (g/mol): 317.34 Synonym: 2-[([1,1'-Biphenyl]-4-ylamino)carbonyl]benzoic Acid,2-[(Biphenyl-4-yl)carbamoyl]benzoic Acid,4'-Phenylphthalanilic Acid,KGN; IUPAC Name: 2-[(4-phenylphenyl)carbamoyl]benzoic acid SMILES: OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)c3ccccc3

CAS 4727-31-5
Molecular Weight (g/mol) 317.34
SMILES OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)c3ccccc3
Synonym 2-[([1,1'-Biphenyl]-4-ylamino)carbonyl]benzoic Acid,2-[(Biphenyl-4-yl)carbamoyl]benzoic Acid,4'-Phenylphthalanilic Acid,KGN;
IUPAC Name 2-[(4-phenylphenyl)carbamoyl]benzoic acid
Molecular Formula C20 H15 N O3
10

Clanobutin, TRC

CAS: 30544-61-7 Molecular Formula: C18 H18 Cl N O4 Molecular Weight (g/mol): 347.79 Synonym: Clanobutin, 4-[(4-Chlorobenzoyl)(4-methoxyphenyl)amino]butanoic acid (ACI),Butyric acid, 4-[p-chloro-N-(p-methoxyphenyl)benzamido]- (8CI),Bykahepar,Clanobutin,Clanobutine,N-(p-Chlorobenzoyl)-γ-(p-anisidino)butyric acid IUPAC Name: 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acid SMILES: COc1ccc(cc1)N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2

CAS 30544-61-7
Molecular Weight (g/mol) 347.79
SMILES COc1ccc(cc1)N(CCCC(=O)O)C(=O)c2ccc(Cl)cc2
Synonym Clanobutin, 4-[(4-Chlorobenzoyl)(4-methoxyphenyl)amino]butanoic acid (ACI),Butyric acid, 4-[p-chloro-N-(p-methoxyphenyl)benzamido]- (8CI),Bykahepar,Clanobutin,Clanobutine,N-(p-Chlorobenzoyl)-γ-(p-anisidino)butyric acid
IUPAC Name 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoic acid
Molecular Formula C18 H18 Cl N O4
11
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p-Acetotoluidide, 99%

CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

PubChem CID 7684
CAS 103-89-9
Molecular Weight (g/mol) 149.19
MDL Number MFCD00008677
SMILES CC1=CC=C(C=C1)NC(=O)C
Synonym 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide
IUPAC Name N-(4-methylphenyl)acetamide
InChI Key YICAMJWHIUMFDI-UHFFFAOYSA-N
Molecular Formula C9H11NO
12

Hexyl Octyl Phthalate, TRC

CAS: 61827-62-1 Molecular Formula: C22H34O4 Molecular Weight (g/mol): 362.5 Synonym: 1,2-Benzenedicarboxylic Acid, 1-Hexyl 2-Octyl Ester,1,2-Benzenedicarboxylic Acid Hexyl Octyl Ester IUPAC Name: hexyl octyl phthalate SMILES: O=C(OCCCCCCCC)C1=CC=CC=C1C(OCCCCCC)=O

CAS 61827-62-1
Molecular Weight (g/mol) 362.5
SMILES O=C(OCCCCCCCC)C1=CC=CC=C1C(OCCCCCC)=O
Synonym 1,2-Benzenedicarboxylic Acid, 1-Hexyl 2-Octyl Ester,1,2-Benzenedicarboxylic Acid Hexyl Octyl Ester
IUPAC Name hexyl octyl phthalate
Molecular Formula C22H34O4
13

Sedaxane, TRC

CAS: 874967-67-6 Molecular Formula: C18 H19 F2 N3 O Molecular Weight (g/mol): 331.36 Synonym: N-(2-[1,1'-Bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide,N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid amide,N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide,N-[2-(2-(Cyclopropyl)cyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxamide,N-[2-(2-Cyclopropylcyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxylic acid amide,N-[2-[1,1'-Bi(cyclopropyl)-2-yl]phenyl]-1-methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxamide,Sedaxane,Vibrance IUPAC Name: N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide SMILES: Cn1cc(C(=O)Nc2ccccc2C3CC3C4CC4)c(n1)C(F)F

CAS 874967-67-6
Molecular Weight (g/mol) 331.36
SMILES Cn1cc(C(=O)Nc2ccccc2C3CC3C4CC4)c(n1)C(F)F
Synonym N-(2-[1,1'-Bicyclopropyl]-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide,N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid amide,N-(2-Bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide,N-[2-(2-(Cyclopropyl)cyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxamide,N-[2-(2-Cyclopropylcyclopropyl)phenyl]-3-difluoromethyl-1-methylpyrazole-4-carboxylic acid amide,N-[2-[1,1'-Bi(cyclopropyl)-2-yl]phenyl]-1-methyl-3-(difluoromethyl)-1H-pyrazole-4-carboxamide,Sedaxane,Vibrance
IUPAC Name N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
Molecular Formula C18 H19 F2 N3 O
14

Phthalylsulfathiazole, TRC

CAS: 85-73-4 Molecular Formula: C17 H13 N3 O5 S2 Molecular Weight (g/mol): 403.43 Synonym: Phthalylsulfathiazole,2-[[4-(Thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid,Benzoic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-,Phthalanilic acid, 4'-(2-thiazolylsulfamoyl)- (8CI),(o-Carboxybenzoyl)-p-aminophenylsulfonamidothiazole,2-(N4-Phthalylaminobenzenesulfonamide)thiazole,2-(N4-Phthalylsulfanilamido)thiazole,4'-(2-Thiazolylsulfamoyl)phthalanilic acid,4'-(2-Thiazolylsulfamyl)phthalanilic acid,AFI-Ftalyl,Cremothalidine,Enteramida,Entero-sulfina,Entexidina,Ftalazol,Ftalil-Esteve,Ftalil-Septol,Ftalysept,Intestiazol,NSC 66454,NSC 683525,Phtalazol,Phthalazol,Phthalidin,Phthalylnorsulfazole,Phthalylsulfathiazole,Phthalylsulfonazole,Phthalylsulphathiazole,Sulfacetil,Sulfaphthalazole,Sulfathalidine,Sulftalyl,Sulphaphthalyl,Taleudron,Talidine,Taloudron,Thalazole,Thalinil,Thalistanin,Thalistatyl,Ultratiazol IUPAC Name: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid SMILES: OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3

CAS 85-73-4
Molecular Weight (g/mol) 403.43
SMILES OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3
Synonym Phthalylsulfathiazole,2-[[4-(Thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid,Benzoic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-,Phthalanilic acid, 4'-(2-thiazolylsulfamoyl)- (8CI),(o-Carboxybenzoyl)-p-aminophenylsulfonamidothiazole,2-(N4-Phthalylaminobenzenesulfonamide)thiazole,2-(N4-Phthalylsulfanilamido)thiazole,4'-(2-Thiazolylsulfamoyl)phthalanilic acid,4'-(2-Thiazolylsulfamyl)phthalanilic acid,AFI-Ftalyl,Cremothalidine,Enteramida,Entero-sulfina,Entexidina,Ftalazol,Ftalil-Esteve,Ftalil-Septol,Ftalysept,Intestiazol,NSC 66454,NSC 683525,Phtalazol,Phthalazol,Phthalidin,Phthalylnorsulfazole,Phthalylsulfathiazole,Phthalylsulfonazole,Phthalylsulphathiazole,Sulfacetil,Sulfaphthalazole,Sulfathalidine,Sulftalyl,Sulphaphthalyl,Taleudron,Talidine,Taloudron,Thalazole,Thalinil,Thalistanin,Thalistatyl,Ultratiazol
IUPAC Name 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
Molecular Formula C17 H13 N3 O5 S2
15

NF 279, TRC

CAS: 202983-32-2 Molecular Formula: C49 H30 N6 O23 S6 . 6Na Molecular Weight (g/mol): 1401.12 Synonym: NF 279,8,8'-[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonic Acid Hexasodium Salt IUPAC Name: hexasodium;8-[[4-[[4-[[4-[[4-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc6ccc(cc6)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])cc4)cc3)ccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]

CAS 202983-32-2
Molecular Weight (g/mol) 1401.12
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc6ccc(cc6)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])cc4)cc3)ccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
Synonym NF 279,8,8'-[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonic Acid Hexasodium Salt
IUPAC Name hexasodium;8-[[4-[[4-[[4-[[4-[(4,6,8-trisulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular Formula C49 H30 N6 O23 S6 . 6Na