[(E)-octadec-1-enyl] 2-sulfooxyhexanoate

Systemtic Name: [(E)-octadec-1-enyl] 2-sulfooxyhexanoate Openeye Name: [(E)-octadec-1-enyl] 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid [(E)-octadec-1-enyl] ester IUPAC Name: [(E)-octadec-1-enyl] 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid [(E)-octadec-1-enyl] ester Formula: C24H46O6S MolecularWeight: 462.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)C(CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)C(CCCC)OS(=O)(=O)O

InChI

InChI=1S/C24H46O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(25)23(21-6-4-2)30-31(26,27)28/h20,22-23H,3-19,21H2,1-2H3,(H,26,27,28)/b22-20+