sodium 4-octan-3-yloxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-octan-3-yloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-(1-ethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-octan-3-yloxy-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-octan-3-yloxy-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-(1-ethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C12H21NaO7S MolecularWeight: 332.34571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-3-5-6-7-9(4-2)19-12(15)10(8-11(13)14)20(16,17)18;/h9-10H,3-8H2,1-2H3,(H,13,14)(H,16,17,18);/q;+1/p-1