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

Systemtic Name: [4-[1-ethoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] benzoate Openeye Name: [4-[2-ethoxy-1-hydroxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[1-ethoxy-2-hydroxy-3-[(2-nitrophenyl)thio]-1-oxopropan-2-yl]phenyl] ester IUPAC Name: [4-[1-ethoxy-2-hydroxy-3-(2-nitrophenyl)sulfanyl-1-oxopropan-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-ethoxy-1-hydroxy-2-keto-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO7S/c1-2-31-23(27)24(28,16-33-21-11-7-6-10-20(21)25(29)30)18-12-14-19(15-13-18)32-22(26)17-8-4-3-5-9-17/h3-15,28H,2,16H2,1H3