2-[(E)-2-(3-chloranyl-4-methoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate

Systemtic Name: 2-[(E)-2-(3-chloranyl-4-methoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Openeye Name: 2-[(E)-2-(3-chloro-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate CAS Name: 2-[(E)-2-(3-chloro-4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate IUPAC Name: 2-[(E)-2-(3-chloro-4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate phosphate Traditional Name: 2-[(E)-2-(3-chloro-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate phosphate Formula: C17H12ClN2O7P-4 MolecularWeight: 422.713141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O3.H3O4P/c1-23-14-7-5-10(9-12(14)18)6-8-15-19-13-4-2-3-11(17(21)22)16(13)20-15;1-5(2,3)4/h2-9H,1H3,(H,19,20)(H,21,22);(H3,1,2,3,4)/p-4/b8-6+;