(3-cyclohexyl-3-methyl-2-oxidanylidene-butyl) benzenesulfonate

Systemtic Name: (3-cyclohexyl-3-methyl-2-oxidanylidene-butyl) benzenesulfonate Openeye Name: (3-cyclohexyl-3-methyl-2-oxo-butyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-cyclohexyl-3-methyl-2-oxobutyl) ester IUPAC Name: (3-cyclohexyl-3-methyl-2-oxobutyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-cyclohexyl-2-keto-3-methyl-butyl) ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C1CCCCC1)C(=O)COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24O4S/c1-17(2,14-9-5-3-6-10-14)16(18)13-21-22(19,20)15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3