sodium butanoyl octanoate

Systemtic Name: sodium butanoyl octanoate Openeye Name: sodium butanoyl octanoate CAS Name: sodium octanoic acid 1-oxobutyl ester IUPAC Name: sodium butanoyl octanoate Traditional Name: sodium caprylic acid butyryl ester Formula: C12H22NaO3+ MolecularWeight: 237.29105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(=O)CCC.[Na+]

Isomeric SMILES

CCCCCCCC(=O)OC(=O)CCC.[Na+]

InChI

InChI=1S/C12H22O3.Na/c1-3-5-6-7-8-10-12(14)15-11(13)9-4-2;/h3-10H2,1-2H3;/q;+1