2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Formula: C21H16N4O9S3 MolecularWeight: 564.56814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N4O9S3/c1-10-6-14-18(16(7-10)36(29,30)31)24-20(22-14)11-2-4-12(5-3-11)21-23-15-8-13(35(26,27)28)9-17(19(15)25-21)37(32,33)34/h2-9H,1H3,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)