2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetic acid CAS Name: 2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetic acid IUPAC Name: 2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetic acid Traditional Name: 2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetic acid Formula: C9H9N4O2S+ MolecularWeight: 237.25836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=NN2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=NN2)SCC(=O)O

InChI

InChI=1S/C9H8N4O2S/c14-8(15)6-16-9-10-11-12-13(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)/p+1