[4-(4-methyl-3-nitro-phenyl)carbonyloxy-3-(4-methylphenyl)sulfonyl-phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-(4-methyl-3-nitro-phenyl)carbonyloxy-3-(4-methylphenyl)sulfonyl-phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-(4-methyl-3-nitro-benzoyl)oxy-3-(p-tolylsulfonyl)phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[(4-methyl-3-nitrophenyl)-oxomethoxy]-3-(4-methylphenyl)sulfonylphenyl] ester IUPAC Name: [4-(4-methyl-3-nitrobenzoyl)oxy-3-(4-methylphenyl)sulfonylphenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-(4-methyl-3-nitro-benzoyl)oxy-3-tosyl-phenyl] ester Formula: C29H22N2O10S MolecularWeight: 590.55738

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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)C)[N+](=O)[O-])OC(=O)C4=CC(=C(C=C4)C)[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)C)[N+](=O)[O-])OC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O10S/c1-17-4-11-23(12-5-17)42(38,39)27-16-22(40-28(32)20-8-6-18(2)24(14-20)30(34)35)10-13-26(27)41-29(33)21-9-7-19(3)25(15-21)31(36)37/h4-16H,1-3H3