2-[[4,5,6-tris(chloranyl)-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4,5,6-tris(chloranyl)-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)thio]acetic acid IUPAC Name: 2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)thio]acetic acid Formula: C9H5Cl3N2O2S MolecularWeight: 311.5722

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1Cl)Cl)Cl)N=C(N2)SCC(=O)O

Isomeric SMILES

C1=C2C(=C(C(=C1Cl)Cl)Cl)N=C(N2)SCC(=O)O

InChI

InChI=1S/C9H5Cl3N2O2S/c10-3-1-4-8(7(12)6(3)11)14-9(13-4)17-2-5(15)16/h1H,2H2,(H,13,14)(H,15,16)