sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylsulfanyl]ethanoate

Systemtic Name: sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylsulfanyl]ethanoate Openeye Name: sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylsulfanyl]acetate CAS Name: sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylthio]acetate IUPAC Name: sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylsulfanyl]acetate Traditional Name: sodium 2-[2-(4,5,6,7-tetrahydroindol-1-yl)ethylthio]acetate Formula: C12H16NNaO2S MolecularWeight: 261.31571

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CN2CCSCC(=O)[O-].[Na+]

Isomeric SMILES

C1CCC2=C(C1)C=CN2CCSCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H17NO2S.Na/c14-12(15)9-16-8-7-13-6-5-10-3-1-2-4-11(10)13;/h5-6H,1-4,7-9H2,(H,14,15);/q;+1/p-1