methyl 4-(3-methyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-methyl-2-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-hydroxy-3-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-hydroxy-3-methylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-hydroxy-3-methylphenyl)-4-oxobutanoate Traditional Name: 4-(2-hydroxy-3-methyl-phenyl)-4-keto-butyric acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)CCC(=O)OC

InChI

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