3-[3,5-bis(2-carboxyethyl)phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(2-carboxyethyl)phenyl]propanoic acid Openeye Name: 3-[3,5-bis(2-carboxyethyl)phenyl]propanoic acid CAS Name: 3-[3,5-bis(2-carboxyethyl)phenyl]propanoic acid IUPAC Name: 3-[3,5-bis(2-carboxyethyl)phenyl]propanoic acid Traditional Name: 3-[3,5-bis(2-carboxyethyl)phenyl]propionic acid Formula: C15H18O6 MolecularWeight: 294.29982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H18O6/c16-13(17)4-1-10-7-11(2-5-14(18)19)9-12(8-10)3-6-15(20)21/h7-9H,1-6H2,(H,16,17)(H,18,19)(H,20,21)