ethyl 3-ethanoyl-5-methyl-2-oxidanyl-benzoate

Systemtic Name: ethyl 3-ethanoyl-5-methyl-2-oxidanyl-benzoate Openeye Name: ethyl 3-acetyl-2-hydroxy-5-methyl-benzoate CAS Name: 3-acetyl-2-hydroxy-5-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-acetyl-2-hydroxy-5-methylbenzoate Traditional Name: 3-acetyl-2-hydroxy-5-methyl-benzoic acid ethyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)C)C(=O)C)O

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)C)C(=O)C)O

InChI

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