2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Formula: C14H10N4O12S4 MolecularWeight: 554.5088

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1S(=O)(=O)O)N=C(N2)C3=NC4=C(C=C(C=C4N3)S(=O)(=O)O)S(=O)(=O)O)OS(=O)O

Isomeric SMILES

C1=C(C=C2C(=C1S(=O)(=O)O)N=C(N2)C3=NC4=C(C=C(C=C4N3)S(=O)(=O)O)S(=O)(=O)O)OS(=O)O

InChI

InChI=1S/C14H10N4O12S4/c19-31(20)30-5-1-7-11(9(2-5)33(24,25)26)17-13(15-7)14-16-8-3-6(32(21,22)23)4-10(12(8)18-14)34(27,28)29/h1-4H,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)