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

Systemtic Name: 2-[4-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-[4-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-[4-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-[4-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-[4-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Formula: C20H14N4O12S4 MolecularWeight: 630.60476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)OS(=O)O)S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)OS(=O)O)S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O12S4/c25-37(26)36-11-5-13-17(15(6-11)39(30,31)32)23-19(21-13)9-1-3-10(4-2-9)20-22-14-7-12(38(27,28)29)8-16(18(14)24-20)40(33,34)35/h1-8H,(H,21,23)(H,22,24)(H,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35)