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

Systemtic Name: sodium 4-octan-3-yloxy-4-oxidanylidene-butanoate Openeye Name: sodium 4-(1-ethylhexoxy)-4-oxo-butanoate CAS Name: sodium 4-octan-3-yloxy-4-oxobutanoate IUPAC Name: sodium 4-octan-3-yloxy-4-oxobutanoate Traditional Name: sodium 4-(1-ethylhexoxy)-4-keto-butyrate Formula: C12H21NaO4 MolecularWeight: 252.28251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4.Na/c1-3-5-6-7-10(4-2)16-12(15)9-8-11(13)14;/h10H,3-9H2,1-2H3,(H,13,14);/q;+1/p-1