2-ethoxycarbonyl-5-ethyl-benzoic acid

Systemtic Name: 2-ethoxycarbonyl-5-ethyl-benzoic acid Openeye Name: 2-ethoxycarbonyl-5-ethyl-benzoic acid CAS Name: 2-ethoxycarbonyl-5-ethylbenzoic acid IUPAC Name: 2-ethoxycarbonyl-5-ethylbenzoic acid Traditional Name: 2-carbethoxy-5-ethyl-benzoic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-3-8-5-6-9(12(15)16-4-2)10(7-8)11(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)