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

Systemtic Name: 2-[3,4-bis(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[3,4-bis(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[3,4-bis(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[3,4-bis(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[3,4-bis(6-sulfo-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)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)S(=O)(=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)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)S(=O)(=O)O

InChI

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