[4-[4-(4-pentylcyclohexyl)butyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[4-(4-pentylcyclohexyl)butyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[4-(4-pentylcyclohexyl)butyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-(4-pentylcyclohexyl)butyl]phenyl]methyl ester IUPAC Name: [4-[4-(4-pentylcyclohexyl)butyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-(4-amylcyclohexyl)butyl]benzyl] ester Formula: C29H42O3S MolecularWeight: 470.70698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCCCC2=CC=C(C=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1CCC(CC1)CCCCC2=CC=C(C=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H42O3S/c1-3-4-5-8-25-13-15-26(16-14-25)9-6-7-10-27-17-19-28(20-18-27)23-32-33(30,31)29-21-11-24(2)12-22-29/h11-12,17-22,25-26H,3-10,13-16,23H2,1-2H3