4-[(E)-octadec-1-enoxy]-4-oxidanylidene-3-sulfooxy-butanoic acid

Systemtic Name: 4-[(E)-octadec-1-enoxy]-4-oxidanylidene-3-sulfooxy-butanoic acid Openeye Name: 4-[(E)-octadec-1-enoxy]-4-oxo-3-sulfooxy-butanoic acid CAS Name: 4-[(E)-octadec-1-enoxy]-4-oxo-3-sulfooxybutanoic acid IUPAC Name: 4-[(E)-octadec-1-enoxy]-4-oxo-3-sulfooxybutanoic acid Traditional Name: 4-keto-4-[(E)-octadec-1-enoxy]-3-sulfoxy-butyric acid Formula: C22H40O8S MolecularWeight: 464.6132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30-31(26,27)28/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,26,27,28)/b18-17+