sodium 2-oxidanyl-2-(1-pyridin-3-ylethyl)hexanoate

Systemtic Name: sodium 2-oxidanyl-2-(1-pyridin-3-ylethyl)hexanoate Openeye Name: sodium 2-hydroxy-2-[1-(3-pyridyl)ethyl]hexanoate CAS Name: sodium 2-hydroxy-2-[1-(3-pyridinyl)ethyl]hexanoate IUPAC Name: sodium 2-hydroxy-2-(1-pyridin-3-ylethyl)hexanoate Traditional Name: sodium 2-hydroxy-2-[1-(3-pyridyl)ethyl]hexanoate Formula: C13H18NNaO3 MolecularWeight: 259.27669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3.Na/c1-3-4-7-13(17,12(15)16)10(2)11-6-5-8-14-9-11;/h5-6,8-10,17H,3-4,7H2,1-2H3,(H,15,16);/q;+1/p-1