[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(2-nitrophenyl)thio]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-nitrophenyl)thio]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C23H19NO5S/c1-15-11-12-17(13-16(15)2)20(25)14-29-23(26)18-7-3-5-9-21(18)30-22-10-6-4-8-19(22)24(27)28/h3-13H,14H2,1-2H3