[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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