benzenesulfonate; 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: benzenesulfonate; 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Openeye Name: benzenesulfonate; 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate CAS Name: benzenesulfonate; 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate IUPAC Name: benzenesulfonate; 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate besylate Formula: C24H20N2O7S-2 MolecularWeight: 480.4898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H16N2O4.C6H6O3S/c1-23-14-8-6-11(10-15(14)24-2)7-9-16-19-13-5-3-4-12(18(21)22)17(13)20-16;7-10(8,9)6-4-2-1-3-5-6/h3-10H,1-2H3,(H,19,20)(H,21,22);1-5H,(H,7,8,9)/p-2/b9-7+;