[4-[2-(4-octylsulfonyloxycyclohexyl)propan-2-yl]cyclohexyl] octane-1-sulfonate

Systemtic Name: [4-[2-(4-octylsulfonyloxycyclohexyl)propan-2-yl]cyclohexyl] octane-1-sulfonate Openeye Name: [4-[1-methyl-1-(4-octylsulfonyloxycyclohexyl)ethyl]cyclohexyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [4-[2-(4-octylsulfonyloxycyclohexyl)propan-2-yl]cyclohexyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [4-[1-methyl-1-(4-octylsulfonyloxycyclohexyl)ethyl]cyclohexyl] ester Formula: C31H60O6S2 MolecularWeight: 592.9345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1CCC(CC1)C(C)(C)C2CCC(CC2)OS(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1CCC(CC1)C(C)(C)C2CCC(CC2)OS(=O)(=O)CCCCCCCC

InChI

InChI=1S/C31H60O6S2/c1-5-7-9-11-13-15-25-38(32,33)36-29-21-17-27(18-22-29)31(3,4)28-19-23-30(24-20-28)37-39(34,35)26-16-14-12-10-8-6-2/h27-30H,5-26H2,1-4H3