[2-(4-butan-2-ylcyclohexyl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-butan-2-ylcyclohexyl)-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-oxo-2-(4-sec-butylcyclohexyl)ethyl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-butan-2-ylcyclohexyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylcyclohexyl)-2-oxoethyl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-keto-2-(4-sec-butylcyclohexyl)ethyl] ester Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CCC(CC1)C(=O)COS(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCC(C)C1CCC(CC1)C(=O)COS(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H32O4S/c1-6-15(3)18-7-9-19(10-8-18)20(22)13-25-26(23,24)21-16(4)11-14(2)12-17(21)5/h11-12,15,18-19H,6-10,13H2,1-5H3