sodium 4-nonoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-nonoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-nonoxy-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-nonoxy-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-nonoxy-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-keto-4-nonoxy-3-sulfo-butyrate Formula: C13H23NaO7S MolecularWeight: 346.37229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O7S.Na/c1-2-3-4-5-6-7-8-9-20-13(16)11(10-12(14)15)21(17,18)19;/h11H,2-10H2,1H3,(H,14,15)(H,17,18,19);/q;+1/p-1