[2,3-bis[(4-nitrophenyl)sulfonyloxy]-4-(phenylcarbonyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2,3-bis[(4-nitrophenyl)sulfonyloxy]-4-(phenylcarbonyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-benzoyl-2,3-bis[(4-nitrophenyl)sulfonyloxy]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-benzoyl-2,3-bis[(4-nitrophenyl)sulfonyloxy]phenyl] ester IUPAC Name: [4-benzoyl-2,3-bis[(4-nitrophenyl)sulfonyloxy]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-benzoyl-2,3-dinosyloxy-phenyl) ester Formula: C31H19N3O16S3 MolecularWeight: 785.68806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H19N3O16S3/c35-29(20-4-2-1-3-5-20)27-18-19-28(48-51(42,43)24-12-6-21(7-13-24)32(36)37)31(50-53(46,47)26-16-10-23(11-17-26)34(40)41)30(27)49-52(44,45)25-14-8-22(9-15-25)33(38)39/h1-19H