3-(2,3-diethyl-4-phosphono-phenyl)propanoic acid

Systemtic Name: 3-(2,3-diethyl-4-phosphono-phenyl)propanoic acid Openeye Name: 3-(2,3-diethyl-4-phosphono-phenyl)propanoic acid CAS Name: 3-(2,3-diethyl-4-phosphonophenyl)propanoic acid IUPAC Name: 3-(2,3-diethyl-4-phosphonophenyl)propanoic acid Traditional Name: 3-(2,3-diethyl-4-phosphono-phenyl)propionic acid Formula: C13H19O5P MolecularWeight: 286.260721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)P(=O)(O)O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1CC)P(=O)(O)O)CCC(=O)O

InChI

InChI=1S/C13H19O5P/c1-3-10-9(6-8-13(14)15)5-7-12(11(10)4-2)19(16,17)18/h5,7H,3-4,6,8H2,1-2H3,(H,14,15)(H2,16,17,18)