[5-[[5-chloranyl-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methyl-phenyl]phosphonic acid

Systemtic Name: [5-[[5-chloranyl-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methyl-phenyl]phosphonic acid Openeye Name: [5-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methyl-phenyl]phosphonic acid CAS Name: [5-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methylphenyl]phosphonic acid IUPAC Name: [5-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methylphenyl]phosphonic acid Traditional Name: [5-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]oxy]-2-methyl-phenyl]phosphonic acid Formula: C22H16ClN2O4P MolecularWeight: 438.800201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)Cl)C#CC4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)Cl)C#CC4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C22H16ClN2O4P/c1-14-7-10-17(12-21(14)30(26,27)28)29-22-24-19-11-16(18(23)13-20(19)25-22)9-8-15-5-3-2-4-6-15/h2-7,10-13H,1H3,(H,24,25)(H2,26,27,28)