4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanoate

Systemtic Name: 4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanoate Openeye Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanoate CAS Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanoate IUPAC Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanoate Traditional Name: 4-keto-4-mesityl-butyrate Formula: C13H15O3- MolecularWeight: 219.2564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C13H16O3/c1-8-6-9(2)13(10(3)7-8)11(14)4-5-12(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)/p-1