(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-nitrophenyl)sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-nitrophenyl)sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(2-nitrophenyl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(2-nitrophenyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19NO5S/c1-19(2,3)17(21)12-25-18(22)13-8-4-6-10-15(13)26-16-11-7-5-9-14(16)20(23)24/h4-11H,12H2,1-3H3