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

Systemtic Name: [2-methyl-4-[3-methyl-4-(4-nitrophenyl)carbonyloxy-phenyl]sulfanyl-phenyl] 4-nitrobenzoate Openeye Name: [2-methyl-4-[3-methyl-4-(4-nitrobenzoyl)oxy-phenyl]sulfanyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methyl-4-[[3-methyl-4-[(4-nitrophenyl)-oxomethoxy]phenyl]thio]phenyl] ester IUPAC Name: [2-methyl-4-[3-methyl-4-(4-nitrobenzoyl)oxyphenyl]sulfanylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methyl-4-[[3-methyl-4-(4-nitrobenzoyl)oxy-phenyl]thio]phenyl] ester Formula: C28H20N2O8S MolecularWeight: 544.532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=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)SC2=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/C28H20N2O8S/c1-17-15-23(11-13-25(17)37-27(31)19-3-7-21(8-4-19)29(33)34)39-24-12-14-26(18(2)16-24)38-28(32)20-5-9-22(10-6-20)30(35)36/h3-16H,1-2H3