sodium 4-oxidanylidene-4-propoxy-3-sulfo-butanoate

Systemtic Name: sodium 4-oxidanylidene-4-propoxy-3-sulfo-butanoate Openeye Name: sodium 4-oxo-4-propoxy-3-sulfo-butanoate CAS Name: sodium 4-oxo-4-propoxy-3-sulfobutanoate IUPAC Name: sodium 4-oxo-4-propoxy-3-sulfobutanoate Traditional Name: sodium 4-keto-4-propoxy-3-sulfo-butyrate Formula: C7H11NaO7S MolecularWeight: 262.21281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O7S.Na/c1-2-3-14-7(10)5(4-6(8)9)15(11,12)13;/h5H,2-4H2,1H3,(H,8,9)(H,11,12,13);/q;+1/p-1