3-ethoxycarbonyl-6-methanoyl-2,4-dimethyl-benzoic acid

Systemtic Name: 3-ethoxycarbonyl-6-methanoyl-2,4-dimethyl-benzoic acid Openeye Name: 3-ethoxycarbonyl-6-formyl-2,4-dimethyl-benzoic acid CAS Name: 3-ethoxycarbonyl-6-formyl-2,4-dimethylbenzoic acid IUPAC Name: 3-ethoxycarbonyl-6-formyl-2,4-dimethylbenzoic acid Traditional Name: 3-carbethoxy-6-formyl-2,4-dimethyl-benzoic acid Formula: C13H14O5 MolecularWeight: 250.24726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C(=C1C)C(=O)O)C=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(C(=C1C)C(=O)O)C=O)C

InChI

InChI=1S/C13H14O5/c1-4-18-13(17)10-7(2)5-9(6-14)11(8(10)3)12(15)16/h5-6H,4H2,1-3H3,(H,15,16)