3-[2-(4-carboxyphenyl)ethyl]benzoic acid

Systemtic Name: 3-[2-(4-carboxyphenyl)ethyl]benzoic acid Openeye Name: 3-[2-(4-carboxyphenyl)ethyl]benzoic acid CAS Name: 3-[2-(4-carboxyphenyl)ethyl]benzoic acid IUPAC Name: 3-[2-(4-carboxyphenyl)ethyl]benzoic acid Traditional Name: 3-[2-(4-carboxyphenyl)ethyl]benzoic acid Formula: C16H14O4 MolecularWeight: 270.27996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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