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

Systemtic Name: 6-methyl-2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-methyl-2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid CAS Name: 6-methyl-2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-methyl-2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-methyl-2-(6-sulfinooxy-4-sulfo-1H-benzimidazol-2-yl)-1H-benzimidazole-4-sulfonic 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)OS(=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)OS(=O)O)S(=O)(=O)O

InChI

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