[2-[4-(2-methylpropyl)cyclohexyl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)C2CCC(CC2)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(=O)C2CCC(CC2)CC(C)C)C

InChI

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