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

Systemtic Name: [4-[3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-1-propoxy-propan-2-yl]phenyl] benzoate Openeye Name: [4-[1-hydroxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-2-propoxy-ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-hydroxy-3-[(2-nitrophenyl)thio]-1-oxo-1-propoxypropan-2-yl]phenyl] ester IUPAC Name: [4-[2-hydroxy-3-(2-nitrophenyl)sulfanyl-1-oxo-1-propoxypropan-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[1-hydroxy-2-keto-1-[[(2-nitrophenyl)thio]methyl]-2-propoxy-ethyl]phenyl] ester Formula: C25H23NO7S MolecularWeight: 481.51762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO7S/c1-2-16-32-24(28)25(29,17-34-22-11-7-6-10-21(22)26(30)31)19-12-14-20(15-13-19)33-23(27)18-8-4-3-5-9-18/h3-15,29H,2,16-17H2,1H3