2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate

Systemtic Name: 2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(2,4,6-trimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(2,4,6-trimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C19H17N2O9P-4 MolecularWeight: 448.320041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5.H3O4P/c1-24-11-9-15(25-2)12(16(10-11)26-3)7-8-17-20-14-6-4-5-13(19(22)23)18(14)21-17;1-5(2,3)4/h4-10H,1-3H3,(H,20,21)(H,22,23);(H3,1,2,3,4)/p-4/b8-7+;