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Substance Name: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7S-trans)-
RN: 86594-63-0
InChIKey: FCKDZCPFYXNFLB-RXVVDRJESA-N

Molecular Formula

  • C21-H16-O2

Molecular Weight

  • 300.3554
 
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Names and Synonyms

Synonyms

  • (7S-trans)-7,8-Dihydro-7-methylbenzo(a)pyrene-7,8-diol
  • 7,8-Dihydro-7-methylbenzo(a)pyrene-7,8-diol (7S-trans)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86594-63-0

System Generated Number

  • 0086594630

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

c12c(c3c4c(c2)ccc2c4c(cc3)ccc2)C=C[C@@H]([C@]1(O)C)O