(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-nitro-2-(p-tolylsulfanyl)benzoate CAS Name: 2-[(4-methylphenyl)thio]-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-methylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-(p-tolylthio)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C20H21NO5S/c1-13-5-8-15(9-6-13)27-17-10-7-14(21(24)25)11-16(17)19(23)26-12-18(22)20(2,3)4/h5-11H,12H2,1-4H3