2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3,4-bis(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C27H18N6O9S3 MolecularWeight: 666.66162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)OS(=O)O)C6=NC7=C(N6)C=C(C=C7)OS(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4)C=C(C=C5)OS(=O)O)C6=NC7=C(N6)C=C(C=C7)OS(=O)O

InChI

InChI=1S/C27H18N6O9S3/c34-43(35)41-14-2-6-19-22(10-14)32-26(29-19)17-5-1-13(25-28-21-8-4-16(45(38,39)40)12-24(21)31-25)9-18(17)27-30-20-7-3-15(42-44(36)37)11-23(20)33-27/h1-12H,(H,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)(H,38,39,40)