[2-methyl-4-[3-methyl-4-(4-nitrophenyl)carbonyloxy-phenyl]sulfinyl-phenyl] 4-nitrobenzoate

Systemtic Name: [2-methyl-4-[3-methyl-4-(4-nitrophenyl)carbonyloxy-phenyl]sulfinyl-phenyl] 4-nitrobenzoate Openeye Name: [2-methyl-4-[3-methyl-4-(4-nitrobenzoyl)oxy-phenyl]sulfinyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methyl-4-[3-methyl-4-[(4-nitrophenyl)-oxomethoxy]phenyl]sulfinylphenyl] ester IUPAC Name: [2-methyl-4-[3-methyl-4-(4-nitrobenzoyl)oxyphenyl]sulfinylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methyl-4-[3-methyl-4-(4-nitrobenzoyl)oxy-phenyl]sulfinyl-phenyl] ester Formula: C28H20N2O9S MolecularWeight: 560.5314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N2O9S/c1-17-15-23(11-13-25(17)38-27(31)19-3-7-21(8-4-19)29(33)34)40(37)24-12-14-26(18(2)16-24)39-28(32)20-5-9-22(10-6-20)30(35)36/h3-16H,1-2H3