(3,3-dimethyl-5-oxidanylidene-cyclohexyl) 4-butan-2-ylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-5-oxidanylidene-cyclohexyl) 4-butan-2-ylbenzenesulfonate Openeye Name: (3,3-dimethyl-5-oxo-cyclohexyl) 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid (3,3-dimethyl-5-oxocyclohexyl) ester IUPAC Name: (3,3-dimethyl-5-oxocyclohexyl) 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid (5-keto-3,3-dimethyl-cyclohexyl) ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CC(=O)CC(C2)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CC(=O)CC(C2)(C)C

InChI

InChI=1S/C18H26O4S/c1-5-13(2)14-6-8-17(9-7-14)23(20,21)22-16-10-15(19)11-18(3,4)12-16/h6-9,13,16H,5,10-12H2,1-4H3