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Pyrenes

Polycyclic organic compounds that consist of four fused benzene rings with a total of sixteen carbon atoms and ten hydrogen atoms.

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1

Thermo Scientific Chemicals 8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt, 98%

CAS: 6358-69-6 Molecular Formula: C16H7Na3O10S3 Molecular Weight (g/mol): 524.37 MDL Number: MFCD00037575 InChI Key: KXXXUIKPSVVSAW-UHFFFAOYSA-K PubChem CID: 61388 ChEBI: CHEBI:52083 IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate SMILES: [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

EDGE
PubChem CID 61388
CAS 6358-69-6
Molecular Weight (g/mol) 524.37
ChEBI CHEBI:52083
MDL Number MFCD00037575
SMILES [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium;8-hydroxypyrene-1,3,6-trisulfonate
InChI Key KXXXUIKPSVVSAW-UHFFFAOYSA-K
Molecular Formula C16H7Na3O10S3
2

1-Pyrenebutylamine, TRC

CAS: 205488-15-9 Molecular Formula: C20 H19 N Molecular Weight (g/mol): 273.37 Synonym: 1-Pyrenebutanamine,1-(4-Aminobutyl)pyrene,4-(1-Pyrenyl)butylamine,1-Pyrenebutylamine IUPAC Name: 4-pyren-1-ylbutan-1-amine SMILES: NCCCCc1ccc2ccc3cccc4ccc1c2c34

CAS 205488-15-9
Molecular Weight (g/mol) 273.37
SMILES NCCCCc1ccc2ccc3cccc4ccc1c2c34
Synonym 1-Pyrenebutanamine,1-(4-Aminobutyl)pyrene,4-(1-Pyrenyl)butylamine,1-Pyrenebutylamine
IUPAC Name 4-pyren-1-ylbutan-1-amine
Molecular Formula C20 H19 N
3

Acepyrene, TRC

CAS: 27208-37-3 Molecular Formula: C18 H10 Molecular Weight (g/mol): 226.27 Synonym: Cyclopenta[cd]pyrene,Acepyrene,Acepyrylene,Cyclopenta[c,d]pyrene IUPAC Name: pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene SMILES: C1=Cc2cc3cccc4ccc5ccc1c2c5c34

CAS 27208-37-3
Molecular Weight (g/mol) 226.27
SMILES C1=Cc2cc3cccc4ccc5ccc1c2c5c34
Synonym Cyclopenta[cd]pyrene,Acepyrene,Acepyrylene,Cyclopenta[c,d]pyrene
IUPAC Name pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene
Molecular Formula C18 H10
4

Benzo[a]pyrene-4,5-quinone, TRC

CAS: 42286-46-4 Molecular Formula: C20H10O2 Molecular Weight (g/mol): 282.29 Synonym: 4,5-Benzo[a]pyrenequinone,Benzo[pqr]tetraphene-4,5-dione; IUPAC Name: benzo[a]pyrene-4,5-dione SMILES: O=C1C(=O)c2cc3ccccc3c4ccc5cccc1c5c24

CAS 42286-46-4
Molecular Weight (g/mol) 282.29
SMILES O=C1C(=O)c2cc3ccccc3c4ccc5cccc1c5c24
Synonym 4,5-Benzo[a]pyrenequinone,Benzo[pqr]tetraphene-4,5-dione;
IUPAC Name benzo[a]pyrene-4,5-dione
Molecular Formula C20H10O2
5

1-Pyrenylmethyl Methanethiosulfonate, TRC

CAS: 384342-65-8 Molecular Formula: C18 H14 O2 S2 Molecular Weight (g/mol): 326.43 Synonym: Methanesulfonothioic acid, S-(1-pyrenylmethyl) ester,1-Pyrenylmethyl methanethiosulfonate IUPAC Name: 1-(methylsulfonylsulfanylmethyl)pyrene SMILES: CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34

CAS 384342-65-8
Molecular Weight (g/mol) 326.43
SMILES CS(=O)(=O)SCc1ccc2ccc3cccc4ccc1c2c34
Synonym Methanesulfonothioic acid, S-(1-pyrenylmethyl) ester,1-Pyrenylmethyl methanethiosulfonate
IUPAC Name 1-(methylsulfonylsulfanylmethyl)pyrene
Molecular Formula C18 H14 O2 S2
6

Benzo[ghi]perylene, TRC

CAS: 191-24-2 Molecular Formula: C22 H12 Molecular Weight (g/mol): 276.33 Synonym: Benzo[ghi]perylene,1,12-Benzoperylene,1,12-Benzperylene,NSC 89275 IUPAC Name: Benzo[g,h,i]perylene SMILES: c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56

CAS 191-24-2
Molecular Weight (g/mol) 276.33
SMILES c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
Synonym Benzo[ghi]perylene,1,12-Benzoperylene,1,12-Benzperylene,NSC 89275
IUPAC Name Benzo[g,h,i]perylene
Molecular Formula C22 H12
7

3-Hydroxy Benzopyrene, TRC

CAS: 13345-21-6 Molecular Formula: C20 H12 O Molecular Weight (g/mol): 268.31 Synonym: Benzo[a]pyren-3-ol,3-Hydroxy-3,4-benzo[a]pyrene,3-Hydroxybenzo[a]pyrene; IUPAC Name: benzo[a]pyren-3-ol SMILES: Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35

CAS 13345-21-6
Molecular Weight (g/mol) 268.31
SMILES Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
Synonym Benzo[a]pyren-3-ol,3-Hydroxy-3,4-benzo[a]pyrene,3-Hydroxybenzo[a]pyrene;
IUPAC Name benzo[a]pyren-3-ol
Molecular Formula C20 H12 O
8

7-Hydroxybenzo[a]pyrene, TRC

CAS: 37994-82-4 Molecular Formula: C20 H12 O Molecular Weight (g/mol): 268.31 Synonym: Benzo[a]pyren-7-ol,7-Hydroxybenzo[a]pyrene,7-Hydroxybenzopyrene IUPAC Name: benzo[a]pyren-7-ol SMILES: Oc1cccc2c1cc3ccc4cccc5ccc2c3c45

CAS 37994-82-4
Molecular Weight (g/mol) 268.31
SMILES Oc1cccc2c1cc3ccc4cccc5ccc2c3c45
Synonym Benzo[a]pyren-7-ol,7-Hydroxybenzo[a]pyrene,7-Hydroxybenzopyrene
IUPAC Name benzo[a]pyren-7-ol
Molecular Formula C20 H12 O
9

2-(Pyren-1-ylaminocarbonyl)ethyl Methanethiosulfonate, TRC

CAS: 384342-64-7 Molecular Formula: C20 H17 N O3 S2 Molecular Weight (g/mol): 383.48 IUPAC Name: 3-methylsulfonylsulfanyl-N-pyren-1-ylpropanamide SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34

CAS 384342-64-7
Molecular Weight (g/mol) 383.48
SMILES CS(=O)(=O)SCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
IUPAC Name 3-methylsulfonylsulfanyl-N-pyren-1-ylpropanamide
Molecular Formula C20 H17 N O3 S2
10

Indeno[1,2,3-cd]pyrene, TRC

CAS: 193-39-5 Molecular Formula: C22 H12 Molecular Weight (g/mol): 276.33 Synonym: Indeno[1,2,3-cd]pyrene,1,10-(1,2-Phenylene)pyrene,1,10-(o-Phenylene)pyrene,Indeno[1,2,3-c,d]pyrene,Indeno(1,2,3-c,d)pyrene IUPAC Name: Indeno(1,2,3-c,d)pyrene SMILES: c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56

CAS 193-39-5
Molecular Weight (g/mol) 276.33
SMILES c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56
Synonym Indeno[1,2,3-cd]pyrene,1,10-(1,2-Phenylene)pyrene,1,10-(o-Phenylene)pyrene,Indeno[1,2,3-c,d]pyrene,Indeno(1,2,3-c,d)pyrene
IUPAC Name Indeno(1,2,3-c,d)pyrene
Molecular Formula C22 H12
11

1-Hydroxypyrene beta-D-Glucuronide Methyl Ester, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

CAS 27735-78-0
Molecular Weight (g/mol) 408.4
InChI Formula InChI=1S/C23H20O7/c1-28-22(27)21-19(25)18(24)20(26)23(30-21)29-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,18-21,23-26H,1H3
Chemical Name or Material 1-Hydroxypyrene beta-D-Glucuronide Methyl Ester
SMILES COC(=O)C1OC(Oc2ccc3ccc4cccc5ccc2c3c45)C(O)C(O)C1O
Synonym 1-Pyrenyl beta-D-Glucopyranosiduronic Acid Methyl Ester
Recommended Storage +4°C
IUPAC Name methyl 3,4,5-trihydroxy-6-pyren-1-yloxy-tetrahydropyran-2-carboxylate
Molecular Formula C23 H20 O7
Formula Weight 408.1209
13

Pyrene, TRC

CAS: 129-00-0 Molecular Formula: C16 H10 Molecular Weight (g/mol): 202.25 Synonym: Pyrene,Benzo[def]phenanthrene,NSC 17534,NSC 66449 IUPAC Name: pyrene SMILES: c1cc2ccc3cccc4ccc(c1)c2c34

CAS 129-00-0
Molecular Weight (g/mol) 202.25
SMILES c1cc2ccc3cccc4ccc(c1)c2c34
Synonym Pyrene,Benzo[def]phenanthrene,NSC 17534,NSC 66449
IUPAC Name pyrene
Molecular Formula C16 H10
14

4-Nitropyrene, TRC

CAS: 57835-92-4 Molecular Formula: C16 H9 N O2 Molecular Weight (g/mol): 247.25 Synonym: Pyrene, 4-nitro-,4-Nitropyrene IUPAC Name: 4-nitropyrene SMILES: [O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23

CAS 57835-92-4
Molecular Weight (g/mol) 247.25
SMILES [O-][N+](=O)c1cc2cccc3ccc4cccc1c4c23
Synonym Pyrene, 4-nitro-,4-Nitropyrene
IUPAC Name 4-nitropyrene
Molecular Formula C16 H9 N O2
15

1-Nitropyrene, TRC

CAS: 5522-43-0 Molecular Formula: C16 H9 N O2 Molecular Weight (g/mol): 247.25 Synonym: Pyrene, 1-nitro-,1-Nitropyrene,3-Nitropyrene,NSC 81340 IUPAC Name: 1-nitropyrene SMILES: [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34

CAS 5522-43-0
Molecular Weight (g/mol) 247.25
SMILES [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
Synonym Pyrene, 1-nitro-,1-Nitropyrene,3-Nitropyrene,NSC 81340
IUPAC Name 1-nitropyrene
Molecular Formula C16 H9 N O2