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Benzopyrans

Organic polycyclic compounds that consist of a benzene fused with a heterocyclic pyran ring; pyran rings are six-membered non-aromatic rings with five carbon atoms, one oxygen atom, and two double bonds.

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1 – 15 of 53 results
1

Fluoresceinamine, Isomer 1, TRC

CAS: 3326-34-9 Molecular Formula: C20 H13 N O5 Molecular Weight (g/mol): 347.32 IUPAC Name: 6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

CAS 3326-34-9
Molecular Weight (g/mol) 347.32
SMILES Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
IUPAC Name 6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Formula C20 H13 N O5
2

Fluorescein, TRC

CAS: 2321-07-5 Molecular Formula: C20 H12 O5 Molecular Weight (g/mol): 332.31 Synonym: Fluorescein,3',6'-Dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1

CAS 2321-07-5
Molecular Weight (g/mol) 332.31
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1
Synonym Fluorescein,3',6'-Dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
IUPAC Name 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Formula C20 H12 O5
3

Fluorescein 5-Isothiocyanate, Isomer 1 (~90%), TRC

CAS: 3326-32-7 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: FITC IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1

CAS 3326-32-7
Molecular Weight (g/mol) 389.38
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1
Synonym FITC
IUPAC Name 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Formula C21 H11 N O5 S
4

5(6)-Carboxyfluorescein, TRC

CAS: 72088-94-9 Molecular Formula: 2 C21 H12 O7 Molecular Weight (g/mol): 752.63 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35.OC(=O)c6ccc7C(=O)OC8(c9ccc(O)cc9Oc%10cc(O)ccc8%10)c7c6

CAS 72088-94-9
Molecular Weight (g/mol) 752.63
SMILES OC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35.OC(=O)c6ccc7C(=O)OC8(c9ccc(O)cc9Oc%10cc(O)ccc8%10)c7c6
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Molecular Formula 2 C21 H12 O7
5

Fluorescein 5-Isothiocyanate, Isomer 1, 95%, TRC

CAS: 3326-32-7 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: FITC IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1

CAS 3326-32-7
Molecular Weight (g/mol) 389.38
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1
Synonym FITC
IUPAC Name 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Formula C21 H11 N O5 S
6

Fluorescein 6-Isothiocyanate, Isomer 2, 95%, TRC

CAS: 18861-78-4 Molecular Formula: C21 H11 N O5 S Molecular Weight (g/mol): 389.38 Synonym: Fluorescein 6-Isothiocyanate, Isomer 2 IUPAC Name: 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1

CAS 18861-78-4
Molecular Weight (g/mol) 389.38
SMILES Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccc(cc45)N=C=S)c1
Synonym Fluorescein 6-Isothiocyanate, Isomer 2
IUPAC Name 3',6'-dihydroxy-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Formula C21 H11 N O5 S
7

Diacetylfluorescein, TRC

CAS: 596-09-8 Molecular Formula: C24 H16 O7 Molecular Weight (g/mol): 416.38 Synonym: Fluorescein diacetate,Diacetylfluorescein,3',6'-Bis(acetyloxy)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one IUPAC Name: (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate SMILES: CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1

CAS 596-09-8
Molecular Weight (g/mol) 416.38
SMILES CC(=O)Oc1ccc2c(Oc3cc(OC(=O)C)ccc3C24OC(=O)c5ccccc45)c1
Synonym Fluorescein diacetate,Diacetylfluorescein,3',6'-Bis(acetyloxy)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
IUPAC Name (6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Molecular Formula C24 H16 O7
8

Fluorescein Isothiocyanate (>85%), TRC

CAS: 27072-45-3 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.38 Synonym: FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S

CAS 27072-45-3
Molecular Weight (g/mol) 389.38
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S
Synonym FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC
Molecular Formula C21H11NO5S
9

Beta-Mangostin, TRC

CAS: 20931-37-7 Molecular Formula: C25 H28 O6 Molecular Weight (g/mol): 424.49 Synonym: 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one IUPAC Name: 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one SMILES: COc1cc2Oc3cc(O)c(OC)c(CC=C(C)C)c3C(=O)c2c(O)c1CC=C(C)C

CAS 20931-37-7
Molecular Weight (g/mol) 424.49
SMILES COc1cc2Oc3cc(O)c(OC)c(CC=C(C)C)c3C(=O)c2c(O)c1CC=C(C)C
Synonym 1,6-Dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one
IUPAC Name 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Molecular Formula C25 H28 O6
10

FlAsH-EDT2, TRC

CAS: 212118-77-9 Molecular Formula: C24 H18 As2 O5 S4 Molecular Weight (g/mol): 664.5 IUPAC Name: 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid SMILES: OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6

CAS 212118-77-9
Molecular Weight (g/mol) 664.5
SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C(=C3Oc4c2ccc(O)c4[As]5SCCS5)[As]6SCCS6
IUPAC Name 2-[4,5-bis(1,3,2-dithiarsolan-2-yl)-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid
Molecular Formula C24 H18 As2 O5 S4
11

1-Pentadecanethiol, TRC

CAS: 25276-70-4 Molecular Formula: C15H32S Molecular Weight (g/mol): 244.48 IUPAC Name: pentadecane-1-thiol SMILES: CCCCCCCCCCCCCCCS

CAS 25276-70-4
Molecular Weight (g/mol) 244.48
SMILES CCCCCCCCCCCCCCCS
IUPAC Name pentadecane-1-thiol
Molecular Formula C15H32S
12

Rhodamine 110, TRC

CAS: 13558-31-1 Molecular Formula: C20 H14 N2 O3 . Cl H Molecular Weight (g/mol): 366.8 Synonym: 3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic Acid Monohydrochloride,3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,R 110,RH 110,Rhodamine 560,Rhodamine N IUPAC Name: 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride SMILES: Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O

CAS 13558-31-1
Molecular Weight (g/mol) 366.8
SMILES Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O
Synonym 3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic Acid Monohydrochloride,3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,R 110,RH 110,Rhodamine 560,Rhodamine N
IUPAC Name 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride
Molecular Formula C20 H14 N2 O3 . Cl H
13

A 844606, TRC

CAS: 861119-08-6 Molecular Formula: C20H20N2O2 Molecular Weight (g/mol): 320.38 Synonym: A 844606,2-(7-Methyl-3,7-diazabicyclo[3.3.0]octan-3-yl)xanthen-9-one,2-(Hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one IUPAC Name: 2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one SMILES: CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3

CAS 861119-08-6
Molecular Weight (g/mol) 320.38
SMILES CN1CC2CN(CC2C1)c3ccc4Oc5ccccc5C(=O)c4c3
Synonym A 844606,2-(7-Methyl-3,7-diazabicyclo[3.3.0]octan-3-yl)xanthen-9-one,2-(Hexahydro-5-methylpyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one
IUPAC Name 2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-9H-xanthen-9-one
Molecular Formula C20H20N2O2
14

(+)-Nebivolol, TRC

CAS: 118457-15-1 Molecular Formula: C22 H25 F2 N O4 Molecular Weight (g/mol): 405.44 Synonym: (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol IUPAC Name: (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol SMILES: O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3

CAS 118457-15-1
Molecular Weight (g/mol) 405.44
SMILES O[C@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]3CCc4cc(F)ccc4O3
Synonym (αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol,2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, [2R-[2R*[R*[R*(S*)]]]]-,(+)-Nebivolol,(S,R,R,R)-Nebivolol,(αR,α'R,2R,2'S)-α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol],Dexnebivolol,R 67138,d-Nebivolol
IUPAC Name (1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
Molecular Formula C22 H25 F2 N O4
15

Nebivolol, TRC

CAS: 99200-09-6 Molecular Formula: C22H25F2NO4 Molecular Weight (g/mol): 405.44 Synonym: α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]; IUPAC Name: 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol SMILES: FC1=CC=C2C(CCC(C(O)CNCC(O)C3CCC4=CC(F)=CC=C4O3)O2)=C1

CAS 99200-09-6
Molecular Weight (g/mol) 405.44
SMILES FC1=CC=C2C(CCC(C(O)CNCC(O)C3CCC4=CC(F)=CC=C4O3)O2)=C1
Synonym α,α'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol];
IUPAC Name 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
Molecular Formula C22H25F2NO4