sodium 4-hexadecoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-hexadecoxy-2,3-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-hexadecoxy-2,3-dihydroxy-4-oxo-butanoate CAS Name: sodium 4-hexadecoxy-2,3-dihydroxy-4-oxobutanoate IUPAC Name: sodium 4-hexadecoxy-2,3-dihydroxy-4-oxobutanoate Traditional Name: sodium 4-cetyloxy-2,3-dihydroxy-4-keto-butyrate Formula: C20H37NaO6 MolecularWeight: 396.49395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)[O-])O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C20H38O6.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-20(25)18(22)17(21)19(23)24;/h17-18,21-22H,2-16H2,1H3,(H,23,24);/q;+1/p-1