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Substance Name: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, trans-
RN: 79427-43-3
InChIKey: NITSBVABFXWELN-SFTDATJTSA-N

Molecular Formula

  • C21-H16-O2

Molecular Weight

  • 300.355
 
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Names and Synonyms

Synonym

  • (4S,5S)-7-Methyl-4,5-dihydrobenzo(a)pyrene-4,5-diol

Systematic Name

  • Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, trans-

Registry Numbers

CAS Registry Number

  • 79427-43-3

Other Registry Number

  • 94850-09-6

System Generated Number

  • 0079427433

Structure Descriptors

InChI

1S/C21H16O2/c1-11-4-2-6-13-14-9-8-12-5-3-7-15-18(12)19(14)17(10-16(11)13)21(23)20(15)22/h2-10,20-23H,1H3/t20-,21-/m0/s1

InChIKey

NITSBVABFXWELN-SFTDATJTSA-N

Smiles

c12c(cc3[C@@H]([C@H](c4cccc5ccc1c3c45)O)O)c(ccc2)C