2-methyl-3-oxidanylidene-3-(2,4,6-trimethylphenyl)propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-(2,4,6-trimethylphenyl)propanoic acid Openeye Name: 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid CAS Name: 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid IUPAC Name: 2-methyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoic acid Traditional Name: 3-keto-3-mesityl-2-methyl-propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13(15)16/h5-6,10H,1-4H3,(H,15,16)