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

Systemtic Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O7S2/c1-23-9-4-2-3-8(5-9)14-15-11-6-10(24(17,18)19)7-12(13(11)16-14)25(20,21)22/h2-7H,1H3,(H,15,16)(H,17,18,19)(H,20,21,22)