sodium 8-(3-oxidanylphenoxy)octanoate

Systemtic Name: sodium 8-(3-oxidanylphenoxy)octanoate Openeye Name: sodium 8-(3-hydroxyphenoxy)octanoate CAS Name: sodium 8-(3-hydroxyphenoxy)octanoate IUPAC Name: sodium 8-(3-hydroxyphenoxy)octanoate Traditional Name: sodium 8-(3-hydroxyphenoxy)caprylate Formula: C14H19NaO4 MolecularWeight: 274.28803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCCCC(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCCCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C14H20O4.Na/c15-12-7-6-8-13(11-12)18-10-5-3-1-2-4-9-14(16)17;/h6-8,11,15H,1-5,9-10H2,(H,16,17);/q;+1/p-1