sodium 4-[(E)-oct-1-enoxy]-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-[(E)-oct-1-enoxy]-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-[(E)-oct-1-enoxy]-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-keto-4-[(E)-oct-1-enoxy]-3-sulfo-butyrate Formula: C12H19NaO7S MolecularWeight: 330.32983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCC/C=C/OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H20O7S.Na/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);/q;+1/p-1/b8-7+;