sodium phenyl octanoate

Systemtic Name: sodium phenyl octanoate Openeye Name: sodium phenyl octanoate CAS Name: sodium octanoic acid phenyl ester IUPAC Name: sodium phenyl octanoate Traditional Name: sodium caprylic acid phenyl ester Formula: C14H20NaO2+ MolecularWeight: 243.29717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC=C1.[Na+]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C14H20O2.Na/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13;/h6-8,10-11H,2-5,9,12H2,1H3;/q;+1