sodium 8-(2-ethanoylphenoxy)octanoate

Systemtic Name: sodium 8-(2-ethanoylphenoxy)octanoate Openeye Name: sodium 8-(2-acetylphenoxy)octanoate CAS Name: sodium 8-(2-acetylphenoxy)octanoate IUPAC Name: sodium 8-(2-acetylphenoxy)octanoate Traditional Name: sodium 8-(2-acetylphenoxy)caprylate Formula: C16H21NaO4 MolecularWeight: 300.32531

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C16H22O4.Na/c1-13(17)14-9-6-7-10-15(14)20-12-8-4-2-3-5-11-16(18)19;/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,18,19);/q;+1/p-1