[(2R,6S)-2,6-dimethylpentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,6S)-2,6-dimethylpentadecyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6S)-2,6-dimethylpentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6S)-2,6-dimethylpentadecyl] ester IUPAC Name: [(2R,6S)-2,6-dimethylpentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6S)-2,6-dimethylpentadecyl] ester Formula: C24H42O3S MolecularWeight: 410.65348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CCCC(C)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC[C@H](C)CCC[C@@H](C)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C24H42O3S/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/h16-19,21,23H,5-15,20H2,1-4H3/t21-,23+/m0/s1