(9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol

Systemtic Name: (9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Openeye Name: (9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol CAS Name: (9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol IUPAC Name: (9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Traditional Name: (9S,10S)-6-nitro-9,10-dihydrobenzo[a]pyrene-9,10-diol Formula: C20H13NO4 MolecularWeight: 331.32152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C5=C(C(C(C=C5)O)O)C(=C43)C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C5=C([C@@H]([C@H](C=C5)O)O)C(=C43)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO4/c22-15-9-8-14-18(20(15)23)12-6-4-10-2-1-3-11-5-7-13(17(12)16(10)11)19(14)21(24)25/h1-9,15,20,22-23H/t15-,20+/m0/s1