[4-(4-pentylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-pentylcyclohexyl)cyclohexyl]methyl ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-amylcyclohexyl)cyclohexyl]methyl ester Formula: C25H40O3S MolecularWeight: 420.6483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H40O3S/c1-3-4-5-6-21-9-13-23(14-10-21)24-15-11-22(12-16-24)19-28-29(26,27)25-17-7-20(2)8-18-25/h7-8,17-18,21-24H,3-6,9-16,19H2,1-2H3