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

Systemtic Name: [4-[1-methoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] benzoate Openeye Name: [4-[1-hydroxy-2-methoxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-[1-hydroxy-2-keto-2-methoxy-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C23H19NO7S MolecularWeight: 453.46446

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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=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO7S/c1-30-22(26)23(27,15-32-20-10-6-5-9-19(20)24(28)29)17-11-13-18(14-12-17)31-21(25)16-7-3-2-4-8-16/h2-14,27H,15H2,1H3