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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1C(=O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCC1=C(C=CC=C1C(=O)O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C16H14O4/c1-2-12-13(7-4-8-14(12)16(19)20)10-5-3-6-11(9-10)15(17)18/h3-9H,2H2,1H3,(H,17,18)(H,19,20)