sodium 4-ethoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-ethoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-ethoxy-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-ethoxy-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-ethoxy-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-ethoxy-4-keto-3-sulfo-butyrate Formula: C6H9NaO7S MolecularWeight: 248.18623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O7S.Na/c1-2-13-6(9)4(3-5(7)8)14(10,11)12;/h4H,2-3H2,1H3,(H,7,8)(H,10,11,12);/q;+1/p-1