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Substance Name: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-
RN: 119087-38-6
InChIKey: UBXHWWDTLKMUPE-UXHICEINSA-N

Molecular Formula

  • C20-H13-N-O4

Molecular Weight

  • 331.326
 
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Names and Synonyms

Synonym

  • 4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol cis-

Systematic Name

  • Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-

Registry Numbers

CAS Registry Number

  • 119087-38-6

System Generated Number

  • 0119087386

Structure Descriptors

InChI

1S/C20H13NO4/c22-19-14-7-3-4-10-8-9-12-11-5-1-2-6-13(11)18(21(24)25)17(20(19)23)16(12)15(10)14/h1-9,19-20,22-23H/t19-,20+/m1/s1

InChIKey

UBXHWWDTLKMUPE-UXHICEINSA-N

Smiles

c12c(c(c3[C@@H]([C@@H](c4cccc5ccc1c3c45)O)O)[N+](=O)[O-])cccc2