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Substance Name: Benzo(a)pyrene-7,8-diol, diacetate (ester), (E)-
RN: 73785-34-9
InChIKey: FSPYWBWXIUJPSS-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C24-H16-O4

Molecular Weight

  • 368.386
 
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Names and Synonyms

Synonyms

  • trans-7,8-Diacetoxy-7,8-dihydrobenzo(a)pyrene
  • trans-BP-7,8-dihydrodiol diacetate

Systematic Name

  • Benzo(a)pyrene-7,8-diol, diacetate (ester), (E)-

Registry Numbers

CAS Registry Number

  • 73785-34-9

System Generated Number

  • 0073785349

Structure Descriptors

InChI

1S/C24H16O4/c1-13(25)27-21-11-10-18-19-9-8-16-5-3-4-15-6-7-17(23(19)22(15)16)12-20(18)24(21)28-14(2)26/h3-12H,1-2H3

InChIKey

FSPYWBWXIUJPSS-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(c(c(OC(C)=O)cc1)OC(C)=O)cc2ccc3ccc4