2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(3,5-dimethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Formula: C15H14N2O8S2 MolecularWeight: 414.41026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)OC

InChI

InChI=1S/C15H14N2O8S2/c1-24-9-3-8(4-10(5-9)25-2)15-16-12-6-11(26(18,19)20)7-13(14(12)17-15)27(21,22)23/h3-7H,1-2H3,(H,16,17)(H,18,19,20)(H,21,22,23)