sodium 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoate

Systemtic Name: sodium 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)ethanoate Openeye Name: sodium 2-phenyl-2-(4-pyridylmethylsulfanyl)acetate CAS Name: sodium 2-phenyl-2-(pyridin-4-ylmethylthio)acetate IUPAC Name: sodium 2-phenyl-2-(pyridin-4-ylmethylsulfanyl)acetate Traditional Name: sodium 2-phenyl-2-(4-pyridylmethylthio)acetate Formula: C14H12NNaO2S MolecularWeight: 281.30535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])SCC2=CC=NC=C2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)[O-])SCC2=CC=NC=C2.[Na+]

InChI

InChI=1S/C14H13NO2S.Na/c16-14(17)13(12-4-2-1-3-5-12)18-10-11-6-8-15-9-7-11;/h1-9,13H,10H2,(H,16,17);/q;+1/p-1