6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid

Systemtic Name: 6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid CAS Name: 6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-methyl-2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=NC4=C(N3)C=C(C=C4S(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=NC4=C(N3)C=C(C=C4S(=O)(=O)O)C

InChI

InChI=1S/C16H14N4O6S2/c1-7-3-9-13(11(5-7)27(21,22)23)19-15(17-9)16-18-10-4-8(2)6-12(14(10)20-16)28(24,25)26/h3-6H,1-2H3,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)