(4-cyclohexyl-3,3-dimethyl-2-oxidanylidene-butyl) benzenesulfonate

Systemtic Name: (4-cyclohexyl-3,3-dimethyl-2-oxidanylidene-butyl) benzenesulfonate Openeye Name: (4-cyclohexyl-3,3-dimethyl-2-oxo-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-cyclohexyl-3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (4-cyclohexyl-3,3-dimethyl-2-oxobutyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-cyclohexyl-2-keto-3,3-dimethyl-butyl) ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CC1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26O4S/c1-18(2,13-15-9-5-3-6-10-15)17(19)14-22-23(20,21)16-11-7-4-8-12-16/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3