[(2R,6R)-2,6-dimethyloctadec-17-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,6R)-2,6-dimethyloctadec-17-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6R)-2,6-dimethyloctadec-17-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6-dimethyloctadec-17-enyl] ester IUPAC Name: [(2R,6R)-2,6-dimethyloctadec-17-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6-dimethyloctadec-17-enyl] ester Formula: C27H46O3S MolecularWeight: 450.71734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCC(C)CCCCCCCCCCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)CCC[C@H](C)CCCCCCCCCCC=C

InChI

InChI=1S/C27H46O3S/c1-5-6-7-8-9-10-11-12-13-14-16-24(2)17-15-18-26(4)23-30-31(28,29)27-21-19-25(3)20-22-27/h5,19-22,24,26H,1,6-18,23H2,2-4H3/t24-,26-/m1/s1