(4-heptylcyclohexyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-heptylcyclohexyl)methyl 4-methylbenzenesulfonate Openeye Name: (4-heptylcyclohexyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-heptylcyclohexyl)methyl ester IUPAC Name: (4-heptylcyclohexyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-heptylcyclohexyl)methyl ester Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC1CCC(CC1)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H34O3S/c1-3-4-5-6-7-8-19-11-13-20(14-12-19)17-24-25(22,23)21-15-9-18(2)10-16-21/h9-10,15-16,19-20H,3-8,11-14,17H2,1-2H3