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

Systemtic Name: [(E)-hexadec-1-enyl] 2-sulfooxyhexanoate Openeye Name: [(E)-hexadec-1-enyl] 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid [(E)-hexadec-1-enyl] ester IUPAC Name: [(E)-hexadec-1-enyl] 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid [(E)-hexadec-1-enyl] ester Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-27-22(23)21(19-6-4-2)28-29(24,25)26/h18,20-21H,3-17,19H2,1-2H3,(H,24,25,26)/b20-18+