3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-[(6-chloro-1H-benzimidazol-2-yl)thio]-2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-[(6-chloro-1H-benzimidazol-2-yl)thio]-2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C20H12Cl2N4O5S2 MolecularWeight: 523.36908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C20H12Cl2N4O5S2/c21-8-1-3-10-12(5-8)25-18(23-10)32-7-20(17(29)30)15(14(27)16(28)31-20)33-19-24-11-4-2-9(22)6-13(11)26-19/h1-6,27H,7H2,(H,23,25)(H,24,26)(H,29,30)