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

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C17H13N2O7P-4 MolecularWeight: 388.268081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3.H3O4P/c1-22-12-8-5-11(6-9-12)7-10-15-18-14-4-2-3-13(17(20)21)16(14)19-15;1-5(2,3)4/h2-10H,1H3,(H,18,19)(H,20,21);(H3,1,2,3,4)/p-4/b10-7+;