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2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoate

2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoate

Systemtic Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoate
Openeye Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetate
CAS Name:2-(1H-benzimidazol-3-ium-2-ylthio)acetate
IUPAC Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetate
Traditional Name:2-(1H-benzimidazol-3-ium-2-ylthio)acetate
Formula: C9H8N2O2S
MolecularWeight: 208.23702
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)[O-]


InChI

InChI=1S/C9H8N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)


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