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

Systemtic Name: 2-(3,5-diethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(3,5-diethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-(3,5-diethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(3,5-diethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(3,5-diethoxyphenyl)-1H-benzimidazole-4,6-disulfonic acid Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)OCC

InChI

InChI=1S/C17H18N2O8S2/c1-3-26-11-5-10(6-12(7-11)27-4-2)17-18-14-8-13(28(20,21)22)9-15(16(14)19-17)29(23,24)25/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)