(7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol

Systemtic Name: (7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol Openeye Name: (7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol CAS Name: (7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol IUPAC Name: (7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol Traditional Name: (7R,8R)-3-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol Formula: C20H13NO4 MolecularWeight: 331.32152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-])C(C1O)O

Isomeric SMILES

C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)[N+](=O)[O-])[C@H]([C@@H]1O)O

InChI

InChI=1S/C20H13NO4/c22-17-8-6-12-13-4-1-10-3-7-16(21(24)25)14-5-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-9,17,20,22-23H/t17-,20-/m1/s1