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

Systemtic Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C21H16N4O3S/c1-12-2-8-16-18(10-12)24-20(22-16)13-3-5-14(6-4-13)21-23-17-9-7-15(29(26,27)28)11-19(17)25-21/h2-11H,1H3,(H,22,24)(H,23,25)(H,26,27,28)