sodium 2-[2-(2-phenylpyrrol-1-yl)ethylsulfanyl]ethanoate

Systemtic Name: sodium 2-[2-(2-phenylpyrrol-1-yl)ethylsulfanyl]ethanoate Openeye Name: sodium 2-[2-(2-phenylpyrrol-1-yl)ethylsulfanyl]acetate CAS Name: sodium 2-[2-(2-phenyl-1-pyrrolyl)ethylthio]acetate IUPAC Name: sodium 2-[2-(2-phenylpyrrol-1-yl)ethylsulfanyl]acetate Traditional Name: sodium 2-[2-(2-phenylpyrrol-1-yl)ethylthio]acetate Formula: C14H14NNaO2S MolecularWeight: 283.32123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CN2CCSCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CN2CCSCC(=O)[O-].[Na+]

InChI

InChI=1S/C14H15NO2S.Na/c16-14(17)11-18-10-9-15-8-4-7-13(15)12-5-2-1-3-6-12;/h1-8H,9-11H2,(H,16,17);/q;+1/p-1