sodium 2-hexanoyloxypropanoate

Systemtic Name: sodium 2-hexanoyloxypropanoate Openeye Name: sodium 2-hexanoyloxypropanoate CAS Name: sodium 2-(1-oxohexoxy)propanoate IUPAC Name: sodium 2-hexanoyloxypropanoate Traditional Name: sodium 2-caproyloxypropionate Formula: C9H15NaO4 MolecularWeight: 210.20277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.Na/c1-3-4-5-6-8(10)13-7(2)9(11)12;/h7H,3-6H2,1-2H3,(H,11,12);/q;+1/p-1