[4-(2-methylbutan-2-yl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-methylbutan-2-yl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-(1,1-dimethylpropyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-methylbutan-2-yl)cyclohexyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-tert-amylcyclohexyl) ester Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3S/c1-5-18(3,4)15-8-10-16(11-9-15)21-22(19,20)17-12-6-14(2)7-13-17/h6-7,12-13,15-16H,5,8-11H2,1-4H3