methyl 4-(5-methyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(5-methyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-hydroxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-hydroxy-5-methylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-hydroxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-(2-hydroxy-5-methyl-phenyl)-4-keto-butyric acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)CCC(=O)OC

InChI

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