sodium 4-dodecoxy-3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-dodecoxy-3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: sodium 4-dodecoxy-3-hydroxy-4-oxo-butanoate CAS Name: sodium 4-dodecoxy-3-hydroxy-4-oxobutanoate IUPAC Name: sodium 4-dodecoxy-3-hydroxy-4-oxobutanoate Traditional Name: sodium 3-hydroxy-4-keto-4-lauryloxy-butyrate Formula: C16H29NaO5 MolecularWeight: 324.38823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-21-16(20)14(17)13-15(18)19;/h14,17H,2-13H2,1H3,(H,18,19);/q;+1/p-1