4-[(E)-oct-1-enoxy]-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[(E)-oct-1-enoxy]-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-[(E)-oct-1-enoxy]-3-sulfo-butyric acid Formula: C12H20O7S MolecularWeight: 308.348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C/OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H20O7S/c1-2-3-4-5-6-7-8-19-12(15)10(9-11(13)14)20(16,17)18/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,16,17,18)/b8-7+