2-[[2-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[[2-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[[4-hydroxy-2-(hydroxymethyl)-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]-2-furyl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[4-hydroxy-2-(hydroxymethyl)-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]-2-furanyl]methylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[[4-hydroxy-2-(hydroxymethyl)-5-oxo-3-[(6-sulfo-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methylsulfanyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[[4-hydroxy-5-keto-2-methylol-3-[(6-sulfo-1H-benzimidazol-2-yl)thio]-2-furyl]methylthio]-3H-benzimidazole-5-sulfonic acid Formula: C20H16N4O10S4 MolecularWeight: 600.62184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)CO

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)CO

InChI

InChI=1S/C20H16N4O10S4/c25-7-20(8-35-18-21-11-3-1-9(37(28,29)30)5-13(11)23-18)16(15(26)17(27)34-20)36-19-22-12-4-2-10(38(31,32)33)6-14(12)24-19/h1-6,25-26H,7-8H2,(H,21,23)(H,22,24)(H,28,29,30)(H,31,32,33)