[3-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)carbonyloxy-phenyl] 4-nitrobenzoate

Systemtic Name: [3-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)carbonyloxy-phenyl] 4-nitrobenzoate Openeye Name: [4-(4-nitrobenzoyl)oxy-3-(p-tolylsulfonyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(4-methylphenyl)sulfonyl-4-[(4-nitrophenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-(4-methylphenyl)sulfonyl-4-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-nitrobenzoyl)oxy-3-tosyl-phenyl] ester Formula: C27H18N2O10S MolecularWeight: 562.50422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H18N2O10S/c1-17-2-13-23(14-3-17)40(36,37)25-16-22(38-26(30)18-4-8-20(9-5-18)28(32)33)12-15-24(25)39-27(31)19-6-10-21(11-7-19)29(34)35/h2-16H,1H3