[2-(2-ethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2-ethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-(2-ethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-ethoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(2-ethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-o-phenetylcyclohexyl) ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2CCCCC2OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C2CCCCC2OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26O4S/c1-3-24-20-10-6-4-8-18(20)19-9-5-7-11-21(19)25-26(22,23)17-14-12-16(2)13-15-17/h4,6,8,10,12-15,19,21H,3,5,7,9,11H2,1-2H3