[4-[4-[5,5-bis(oxidanylidene)dibenzothiophen-3-yl]-5-phenyl-1H-imidazol-2-yl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[4-[5,5-bis(oxidanylidene)dibenzothiophen-3-yl]-5-phenyl-1H-imidazol-2-yl]phenyl] 3-nitrobenzoate Openeye Name: [4-[4-(5,5-dioxodibenzothiophen-3-yl)-5-phenyl-1H-imidazol-2-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[4-(5,5-dioxo-3-dibenzothiophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl] ester IUPAC Name: [4-[4-(5,5-dioxodibenzothiophen-3-yl)-5-phenyl-1H-imidazol-2-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[4-(5,5-diketodibenzothiophen-3-yl)-5-phenyl-1H-imidazol-2-yl]phenyl] ester Formula: C34H21N3O6S MolecularWeight: 599.61204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)C7=CC=CC=C7S6(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC6=C(C=C5)C7=CC=CC=C7S6(=O)=O

InChI

InChI=1S/C34H21N3O6S/c38-34(24-9-6-10-25(19-24)37(39)40)43-26-16-13-22(14-17-26)33-35-31(21-7-2-1-3-8-21)32(36-33)23-15-18-28-27-11-4-5-12-29(27)44(41,42)30(28)20-23/h1-20H,(H,35,36)