2-[2-(3-carboxyphenyl)ethyl]benzoic acid

Systemtic Name: 2-[2-(3-carboxyphenyl)ethyl]benzoic acid Openeye Name: 2-[2-(3-carboxyphenyl)ethyl]benzoic acid CAS Name: 2-[2-(3-carboxyphenyl)ethyl]benzoic acid IUPAC Name: 2-[2-(3-carboxyphenyl)ethyl]benzoic acid Traditional Name: 2-[2-(3-carboxyphenyl)ethyl]benzoic acid Formula: C16H14O4 MolecularWeight: 270.27996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O4/c17-15(18)13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16(19)20/h1-7,10H,8-9H2,(H,17,18)(H,19,20)