2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(3,4-diethoxyphenyl)-3H-benzimidazole-5-sulfonic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O)OCC

InChI

InChI=1S/C17H18N2O5S/c1-3-23-15-8-5-11(9-16(15)24-4-2)17-18-13-7-6-12(25(20,21)22)10-14(13)19-17/h5-10H,3-4H2,1-2H3,(H,18,19)(H,20,21,22)