[4-(3-butylphenyl)cyclohexyl] 2-methylbenzenesulfonate

Systemtic Name: [4-(3-butylphenyl)cyclohexyl] 2-methylbenzenesulfonate Openeye Name: [4-(3-butylphenyl)cyclohexyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [4-(3-butylphenyl)cyclohexyl] ester IUPAC Name: [4-(3-butylphenyl)cyclohexyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [4-(3-butylphenyl)cyclohexyl] ester Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2CCC(CC2)OS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2CCC(CC2)OS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H30O3S/c1-3-4-9-19-10-7-11-21(17-19)20-13-15-22(16-14-20)26-27(24,25)23-12-6-5-8-18(23)2/h5-8,10-12,17,20,22H,3-4,9,13-16H2,1-2H3