[(7S)-7-methylnonadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(7S)-7-methylnonadecyl] 4-methylbenzenesulfonate Openeye Name: [(7S)-7-methylnonadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(7S)-7-methylnonadecyl] ester IUPAC Name: [(7S)-7-methylnonadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(7S)-7-methylnonadecyl] ester Formula: C27H48O3S MolecularWeight: 452.73322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCC[C@H](C)CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C27H48O3S/c1-4-5-6-7-8-9-10-11-12-15-18-25(2)19-16-13-14-17-24-30-31(28,29)27-22-20-26(3)21-23-27/h20-23,25H,4-19,24H2,1-3H3/t25-/m0/s1