3-(4-phosphonocarbonyloxyphenyl)propanoic acid

Systemtic Name: 3-(4-phosphonocarbonyloxyphenyl)propanoic acid Openeye Name: 3-(4-phosphonocarbonyloxyphenyl)propanoic acid CAS Name: 3-[4-[oxo(phosphono)methoxy]phenyl]propanoic acid IUPAC Name: 3-(4-phosphonocarbonyloxyphenyl)propanoic acid Traditional Name: 3-(4-phosphonocarbonyloxyphenyl)propionic acid Formula: C10H11O7P MolecularWeight: 274.163901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)OC(=O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)OC(=O)P(=O)(O)O

InChI

InChI=1S/C10H11O7P/c11-9(12)6-3-7-1-4-8(5-2-7)17-10(13)18(14,15)16/h1-2,4-5H,3,6H2,(H,11,12)(H2,14,15,16)