[1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl ester IUPAC Name: [1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-butyl-4-(4-butylcyclohexyl)cyclohexyl]methyl ester Formula: C28H46O3S MolecularWeight: 462.72804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)(CCCC)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)(CCCC)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H46O3S/c1-4-6-8-24-11-13-25(14-12-24)26-17-20-28(21-18-26,19-7-5-2)22-31-32(29,30)27-15-9-23(3)10-16-27/h9-10,15-16,24-26H,4-8,11-14,17-22H2,1-3H3