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Substance Name: Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-1-nitro-, trans-
RN: 120014-72-4
InChIKey: QTNIXPKSIXWXPR-PXNSSMCTSA-N

Molecular Formula

  • C20-H15-N-O4

Molecular Weight

  • 333.341
 
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Names and Synonyms

Synonym

  • trans-1-Nitro-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8-diol

Systematic Name

  • Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-1-nitro-, trans-

Registry Numbers

CAS Registry Number

  • 120014-72-4

Other Registry Number

  • 151418-26-7

System Generated Number

  • 0120014724

Structure Descriptors

InChI

1S/C20H15NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-5,7,9,17,20,22-23H,6,8H2/t17-,20-/m0/s1

InChIKey

QTNIXPKSIXWXPR-PXNSSMCTSA-N

Smiles

c12c(cc3ccc4ccc(c5ccc1c3c45)[N+](=O)[O-])[C@@H]([C@H](CC2)O)O