(3,3-dimethyl-2-oxidanylidene-butyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H24O6S/c1-14-6-7-15(2)18(12-14)28(24,25)27-17-10-8-16(9-11-17)20(23)26-13-19(22)21(3,4)5/h6-12H,13H2,1-5H3