[(2S,6R)-2,6-dimethylpentadec-14-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,6R)-2,6-dimethylpentadec-14-enyl] 4-methylbenzenesulfonate Openeye Name: [(2S,6R)-2,6-dimethylpentadec-14-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,6R)-2,6-dimethylpentadec-14-enyl] ester IUPAC Name: [(2S,6R)-2,6-dimethylpentadec-14-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,6R)-2,6-dimethylpentadec-14-enyl] ester Formula: C24H40O3S MolecularWeight: 408.6376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O3S/c1-5-6-7-8-9-10-11-13-21(2)14-12-15-23(4)20-27-28(25,26)24-18-16-22(3)17-19-24/h5,16-19,21,23H,1,6-15,20H2,2-4H3/t21-,23+/m1/s1