(3,3-dimethyl-2-oxidanylidene-butyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(p-tolylsulfonylmethyl)benzoate CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[(4-methylphenyl)sulfonylmethyl]benzoate Traditional Name: 4-(tosylmethyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H24O5S/c1-15-5-11-18(12-6-15)27(24,25)14-16-7-9-17(10-8-16)20(23)26-13-19(22)21(2,3)4/h5-12H,13-14H2,1-4H3