2-(2-carboxyethyl)-5-ethyl-benzoic acid

Systemtic Name: 2-(2-carboxyethyl)-5-ethyl-benzoic acid Openeye Name: 2-(2-carboxyethyl)-5-ethyl-benzoic acid CAS Name: 2-(2-carboxyethyl)-5-ethylbenzoic acid IUPAC Name: 2-(2-carboxyethyl)-5-ethylbenzoic acid Traditional Name: 2-(2-carboxyethyl)-5-ethyl-benzoic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CCC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-2-8-3-4-9(5-6-11(13)14)10(7-8)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)(H,15,16)