(4-cyclohexyl-3,3-dimethyl-2-oxidanylidene-butyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (4-cyclohexyl-3,3-dimethyl-2-oxidanylidene-butyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (4-cyclohexyl-3,3-dimethyl-2-oxo-butyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (4-cyclohexyl-3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (4-cyclohexyl-3,3-dimethyl-2-oxobutyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (4-cyclohexyl-2-keto-3,3-dimethyl-butyl) ester Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)C(C)(C)CC2CCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)C(C)(C)CC2CCCCC2)C

InChI

InChI=1S/C21H32O4S/c1-15-11-16(2)20(17(3)12-15)26(23,24)25-14-19(22)21(4,5)13-18-9-7-6-8-10-18/h11-12,18H,6-10,13-14H2,1-5H3