sodium 8-(6-phenylpyridin-2-yl)oxyoctanoate

Systemtic Name: sodium 8-(6-phenylpyridin-2-yl)oxyoctanoate Openeye Name: sodium 8-[(6-phenyl-2-pyridyl)oxy]octanoate CAS Name: sodium 8-[(6-phenyl-2-pyridinyl)oxy]octanoate IUPAC Name: sodium 8-(6-phenylpyridin-2-yl)oxyoctanoate Traditional Name: sodium 8-[(6-phenyl-2-pyridyl)oxy]caprylate Formula: C19H22NNaO3 MolecularWeight: 335.37265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC=C2)OCCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC=C2)OCCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C19H23NO3.Na/c21-19(22)14-7-2-1-3-8-15-23-18-13-9-12-17(20-18)16-10-5-4-6-11-16;/h4-6,9-13H,1-3,7-8,14-15H2,(H,21,22);/q;+1/p-1