[(5S)-heptadec-1-en-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(5S)-heptadec-1-en-5-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-but-3-enyltridecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5S)-heptadec-1-en-5-yl] ester IUPAC Name: [(5S)-heptadec-1-en-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-laurylpent-4-enyl] ester Formula: C24H40O3S MolecularWeight: 408.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC=C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C24H40O3S/c1-4-6-8-9-10-11-12-13-14-15-17-23(16-7-5-2)27-28(25,26)24-20-18-22(3)19-21-24/h5,18-21,23H,2,4,6-17H2,1,3H3/t23-/m1/s1