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

Systemtic Name: 2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4,6-disulfonic acid Formula: C15H12N4O9S3 MolecularWeight: 488.47218

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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(C=C(C=C4N3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=NC4=C(C=C(C=C4N3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O9S3/c1-6-2-8-12(10(3-6)30(23,24)25)18-14(16-8)15-17-9-4-7(29(20,21)22)5-11(13(9)19-15)31(26,27)28/h2-5H,1H3,(H,16,18)(H,17,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)