(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-(2-methylbutan-2-yl)benzenesulfonate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-(2-methylbutan-2-yl)benzenesulfonate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 4-(1,1-dimethylpropyl)benzenesulfonate CAS Name: 4-(2-methylbutan-2-yl)benzenesulfonic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 4-(2-methylbutan-2-yl)benzenesulfonate Traditional Name: 4-tert-amylbenzenesulfonic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C19H26O4S MolecularWeight: 350.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)CC(C2)(C)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)CC(C2)(C)C

InChI

InChI=1S/C19H26O4S/c1-6-19(4,5)14-7-9-17(10-8-14)24(21,22)23-16-11-15(20)12-18(2,3)13-16/h7-11H,6,12-13H2,1-5H3