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

Systemtic Name: 2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C27H20N4O3S/c1-16-2-12-22-24(14-16)30-26(28-22)19-7-3-17(4-8-19)18-5-9-20(10-6-18)27-29-23-13-11-21(35(32,33)34)15-25(23)31-27/h2-15H,1H3,(H,28,30)(H,29,31)(H,32,33,34)