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

Systemtic Name: [4-[1-ethoxy-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-ethoxy-1-hydroxy-1-[(2-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-ethoxy-1-hydroxy-2-keto-1-[[(2-nitrophenyl)thio]methyl]ethyl]phenyl] ester Formula: C24H20N2O9S MolecularWeight: 512.4886

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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=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=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/C24H20N2O9S/c1-2-34-23(28)24(29,15-36-21-6-4-3-5-20(21)26(32)33)17-9-13-19(14-10-17)35-22(27)16-7-11-18(12-8-16)25(30)31/h3-14,29H,2,15H2,1H3