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

Systemtic Name: 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-5-keto-3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-2-furoic acid Formula: C20H12N6O9S2 MolecularWeight: 544.47408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H12N6O9S2/c27-14-15(37-19-22-11-4-2-9(26(33)34)6-13(11)24-19)20(17(29)30,35-16(14)28)7-36-18-21-10-3-1-8(25(31)32)5-12(10)23-18/h1-6,27H,7H2,(H,21,23)(H,22,24)(H,29,30)