[2-(4-butan-2-ylcyclohexyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-butan-2-ylcyclohexyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-oxo-2-(4-sec-butylcyclohexyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-butan-2-ylcyclohexyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylcyclohexyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(4-sec-butylcyclohexyl)ethyl] ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CCC(CC1)C(=O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C1CCC(CC1)C(=O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28O4S/c1-4-15(3)16-7-9-17(10-8-16)19(20)13-23-24(21,22)18-11-5-14(2)6-12-18/h5-6,11-12,15-17H,4,7-10,13H2,1-3H3