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Substance Name: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
RN: 119056-58-5
InChIKey: KXZAJPBVOLGMOQ-RPWUZVMVSA-N

Molecular Formula

  • C24-H17-N-O6

Molecular Weight

  • 415.399
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119056-58-5

System Generated Number

  • 0119056585

Structure Descriptors

InChI

1S/C24H17NO6/c1-12(26)30-23-18-9-5-6-14-10-11-16-15-7-3-4-8-17(15)22(25(28)29)21(20(16)19(14)18)24(23)31-13(2)27/h3-11,23-24H,1-2H3/t23-,24+/m1/s1

InChIKey

KXZAJPBVOLGMOQ-RPWUZVMVSA-N

Smiles

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