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

Systemtic Name: 4-[(E)-hexadec-1-enoxy]-4-oxidanylidene-3-sulfooxy-butanoic acid Openeye Name: 4-[(E)-hexadec-1-enoxy]-4-oxo-3-sulfooxy-butanoic acid CAS Name: 4-[(E)-hexadec-1-enoxy]-4-oxo-3-sulfooxybutanoic acid IUPAC Name: 4-[(E)-hexadec-1-enoxy]-4-oxo-3-sulfooxybutanoic acid Traditional Name: 4-[(E)-hexadec-1-enoxy]-4-keto-3-sulfoxy-butyric acid Formula: C20H36O8S MolecularWeight: 436.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28-29(24,25)26/h15-16,18H,2-14,17H2,1H3,(H,21,22)(H,24,25,26)/b16-15+