3,5-bis[1,3-bis(oxidanylidene)-4-phenyl-benzo[f]isoindol-2-yl]benzoic acid

Systemtic Name: 3,5-bis[1,3-bis(oxidanylidene)-4-phenyl-benzo[f]isoindol-2-yl]benzoic acid Openeye Name: 3,5-bis(1,3-dioxo-4-phenyl-benzo[f]isoindol-2-yl)benzoic acid CAS Name: 3,5-bis(1,3-dioxo-4-phenyl-2-benzo[f]isoindolyl)benzoic acid IUPAC Name: 3,5-bis(1,3-dioxo-4-phenylbenzo[f]isoindol-2-yl)benzoic acid Traditional Name: 3,5-bis(1,3-diketo-4-phenyl-benz[f]isoindol-2-yl)benzoic acid Formula: C43H24N2O6 MolecularWeight: 664.66046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C42)C(=O)N(C3=O)C5=CC(=CC(=C5)C(=O)O)N6C(=O)C7=CC8=CC=CC=C8C(=C7C6=O)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C42)C(=O)N(C3=O)C5=CC(=CC(=C5)C(=O)O)N6C(=O)C7=CC8=CC=CC=C8C(=C7C6=O)C9=CC=CC=C9

InChI

InChI=1S/C43H24N2O6/c46-39-33-21-26-15-7-9-17-31(26)35(24-11-3-1-4-12-24)37(33)41(48)44(39)29-19-28(43(50)51)20-30(23-29)45-40(47)34-22-27-16-8-10-18-32(27)36(38(34)42(45)49)25-13-5-2-6-14-25/h1-23H,(H,50,51)