2-[(E)-2-(4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate

Systemtic Name: 2-[(E)-2-(4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(4-allyloxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(4-allyloxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C19H15N2O7P-4 MolecularWeight: 414.305361

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C19H16N2O3.H3O4P/c1-2-12-24-14-9-6-13(7-10-14)8-11-17-20-16-5-3-4-15(19(22)23)18(16)21-17;1-5(2,3)4/h2-11H,1,12H2,(H,20,21)(H,22,23);(H3,1,2,3,4)/p-4/b11-8+;