[(E)-hex-1-enyl] 2-sulfooxyoctanoate

Systemtic Name: [(E)-hex-1-enyl] 2-sulfooxyoctanoate Openeye Name: [(E)-hex-1-enyl] 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid [(E)-hex-1-enyl] ester IUPAC Name: [(E)-hex-1-enyl] 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid [(E)-hex-1-enyl] ester Formula: C14H26O6S MolecularWeight: 322.41764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC=CCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O/C=C/CCCC)OS(=O)(=O)O

InChI

InChI=1S/C14H26O6S/c1-3-5-7-9-11-13(20-21(16,17)18)14(15)19-12-10-8-6-4-2/h10,12-13H,3-9,11H2,1-2H3,(H,16,17,18)/b12-10+