[(4S)-4-methyloctadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(4S)-4-methyloctadecyl] 4-methylbenzenesulfonate Openeye Name: [(4S)-4-methyloctadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S)-4-methyloctadecyl] ester IUPAC Name: [(4S)-4-methyloctadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S)-4-methyloctadecyl] ester Formula: C26H46O3S MolecularWeight: 438.70664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)CCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](C)CCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C26H46O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-24(2)18-16-23-29-30(27,28)26-21-19-25(3)20-22-26/h19-22,24H,4-18,23H2,1-3H3/t24-/m0/s1