[4-butoxy-4-(5-ethyl-2-methyl-phenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4-butoxy-4-(5-ethyl-2-methyl-phenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-butoxy-4-(5-ethyl-2-methyl-phenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-butoxy-4-(5-ethyl-2-methylphenyl)cyclohexyl] ester IUPAC Name: [4-butoxy-4-(5-ethyl-2-methylphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-butoxy-4-(5-ethyl-2-methyl-phenyl)cyclohexyl] ester Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CCC(CC1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=CC(=C3)CC)C

Isomeric SMILES

CCCCOC1(CCC(CC1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=C(C=CC(=C3)CC)C

InChI

InChI=1S/C26H36O4S/c1-5-7-18-29-26(25-19-22(6-2)11-10-21(25)4)16-14-23(15-17-26)30-31(27,28)24-12-8-20(3)9-13-24/h8-13,19,23H,5-7,14-18H2,1-4H3