[(7S,8S)-1-nitro-7-(phenylcarbonyloxy)-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate

Systemtic Name: [(7S,8S)-1-nitro-7-(phenylcarbonyloxy)-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate Openeye Name: [(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate CAS Name: benzoic acid [(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester IUPAC Name: [(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] benzoate Traditional Name: benzoic acid [(7S,8S)-7-benzoyloxy-1-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-8-yl] ester Formula: C34H23NO6 MolecularWeight: 541.54952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-])C(C1OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-])[C@@H]([C@H]1OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C34H23NO6/c36-33(21-7-3-1-4-8-21)40-29-18-16-24-25-14-15-26-28(35(38)39)17-13-20-11-12-23(31(25)30(20)26)19-27(24)32(29)41-34(37)22-9-5-2-6-10-22/h1-15,17,19,29,32H,16,18H2/t29-,32-/m0/s1