[4-[1-methoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[1-methoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] 4-nitrobenzoate Openeye Name: [4-[1-hydroxy-2-methoxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-hydroxy-1-methoxy-3-[(2-nitrophenyl)thio]-1-oxopropan-2-yl]phenyl] ester IUPAC Name: [4-[2-hydroxy-1-methoxy-3-(2-nitrophenyl)sulfanyl-1-oxopropan-2-yl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[1-hydroxy-2-keto-2-methoxy-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C23H18N2O9S MolecularWeight: 498.46202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=CC=CC=C1[N+](=O)[O-])(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C(CSC1=CC=CC=C1[N+](=O)[O-])(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N2O9S/c1-33-22(27)23(28,14-35-20-5-3-2-4-19(20)25(31)32)16-8-12-18(13-9-16)34-21(26)15-6-10-17(11-7-15)24(29)30/h2-13,28H,14H2,1H3