sodium 2-(1-oxidanyl-1-pyridin-4-yl-ethyl)hexanoate

Systemtic Name: sodium 2-(1-oxidanyl-1-pyridin-4-yl-ethyl)hexanoate Openeye Name: sodium 2-[1-hydroxy-1-(4-pyridyl)ethyl]hexanoate CAS Name: sodium 2-(1-hydroxy-1-pyridin-4-ylethyl)hexanoate IUPAC Name: sodium 2-(1-hydroxy-1-pyridin-4-ylethyl)hexanoate Traditional Name: sodium 2-[1-hydroxy-1-(4-pyridyl)ethyl]hexanoate Formula: C13H18NNaO3 MolecularWeight: 259.27669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.Na/c1-3-4-5-11(12(15)16)13(2,17)10-6-8-14-9-7-10;/h6-9,11,17H,3-5H2,1-2H3,(H,15,16);/q;+1/p-1