3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-oxidanyl-5-oxidanylidene-furan-2,2-dicarboxylic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-5-oxo-furan-2,2-dicarboxylic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-5-oxofuran-2,2-dicarboxylic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-4-hydroxy-5-keto-furan-2,2-dicarboxylic acid Formula: C13H8N2O7S MolecularWeight: 336.27682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C(=O)OC3(C(=O)O)C(=O)O)O

InChI

InChI=1S/C13H8N2O7S/c16-7-8(13(10(18)19,11(20)21)22-9(7)17)23-12-14-5-3-1-2-4-6(5)15-12/h1-4,16H,(H,14,15)(H,18,19)(H,20,21)