[6-[methyl(octadecyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[methyl(octadecyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[methyl(octadecyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[[methyl(octadecyl)amino]-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[methyl(octadecyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[methyl(stearyl)carbamoyl]cyclohex-3-en-1-yl]methyl ester Formula: C34H57NO4S MolecularWeight: 575.88568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC=CCC1COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)C1CC=CCC1COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C34H57NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-35(3)34(36)33-23-20-19-22-31(33)29-39-40(37,38)32-26-24-30(2)25-27-32/h19-20,24-27,31,33H,4-18,21-23,28-29H2,1-3H3