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

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate sulfate Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate sulfate CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate sulfate IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate sulfate Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate sulfate Formula: C18H15N2O8S-3 MolecularWeight: 419.3853

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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.[O-]S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4.H2O4S/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;1-5(2,3)4/h3-10H,1-2H3,(H,19,20)(H,21,22);(H2,1,2,3,4)/p-3/b9-7+;