[2-(3-cyanohexyl)-4-propyl-cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(3-cyanohexyl)-4-propyl-cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(3-cyanohexyl)-4-propyl-cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-cyanohexyl)-4-propylcyclohexyl]methyl ester IUPAC Name: [2-(3-cyanohexyl)-4-propylcyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-cyanohexyl)-4-propyl-cyclohexyl]methyl ester Formula: C24H37NO3S MolecularWeight: 419.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C(C1)CCC(CCC)C#N)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1CCC(C(C1)CCC(CCC)C#N)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H37NO3S/c1-4-6-20-10-13-23(22(16-20)12-11-21(17-25)7-5-2)18-28-29(26,27)24-14-8-19(3)9-15-24/h8-9,14-15,20-23H,4-7,10-13,16,18H2,1-3H3