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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate CAS Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2,4-dinitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2,4-dinitrophenyl)thio]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H18N2O7S MolecularWeight: 466.46322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O7S/c1-14-7-8-15(2)18(11-14)20(26)13-32-23(27)17-5-3-4-6-21(17)33-22-10-9-16(24(28)29)12-19(22)25(30)31/h3-12H,13H2,1-2H3