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

Systemtic Name: [(2R,6S)-2,6-dimethyltetradecyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6S)-2,6-dimethyltetradecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6S)-2,6-dimethyltetradecyl] ester IUPAC Name: [(2R,6S)-2,6-dimethyltetradecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6S)-2,6-dimethyltetradecyl] ester Formula: C23H40O3S MolecularWeight: 396.6269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O3S/c1-5-6-7-8-9-10-12-20(2)13-11-14-22(4)19-26-27(24,25)23-17-15-21(3)16-18-23/h15-18,20,22H,5-14,19H2,1-4H3/t20-,22+/m0/s1