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Substance Name: Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-
RN: 119056-56-3
InChIKey: SDWDPAIRPZAXMG-FCHUYYIVSA-N

Molecular Formula

  • C22-H17-N-O6

Molecular Weight

  • 391.377
 
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Names and Synonyms

Synonym

  • 5,6-Dihydro-7-nitrobenz(a)anthracene-5,6-diol diacetate (ester), cis-

Systematic Name

  • Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-

Registry Numbers

CAS Registry Number

  • 119056-56-3

System Generated Number

  • 0119056563

Structure Descriptors

InChI

1S/C22H17NO6/c1-12(24)28-21-17-10-6-5-9-16(17)18-11-14-7-3-4-8-15(14)20(23(26)27)19(18)22(21)29-13(2)25/h3-11,21-22H,1-2H3/t21-,22+/m0/s1

InChIKey

SDWDPAIRPZAXMG-FCHUYYIVSA-N

Smiles

c12c([C@@H]([C@@H](c3c(c4ccccc4cc13)[N+](=O)[O-])OC(C)=O)OC(C)=O)cccc2