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Substance Name: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, trans-
RN: 75625-91-1
InChIKey: FCKDZCPFYXNFLB-RXVVDRJESA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H16-O2

Molecular Weight

  • 300.355
 
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Names and Synonyms

Synonyms

  • 7,8-Dihydro-7,8-dihydroxy-7-methylbenzo(a)pyrene
  • BRN 4701001

Systematic Name

  • Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, trans-

Registry Numbers

CAS Registry Number

  • 75625-91-1

System Generated Number

  • 0075625911

Structure Descriptors

InChI

1S/C21H16O2/c1-21(23)17-11-14-6-5-12-3-2-4-13-7-8-16(20(14)19(12)13)15(17)9-10-18(21)22/h2-11,18,22-23H,1H3/t18-,21-/m0/s1

InChIKey

FCKDZCPFYXNFLB-RXVVDRJESA-N

Smiles

c12c3c4ccc1c1c([C@@]([C@@H](O)C=C1)(C)O)cc2ccc3ccc4