4-oxidanylidene-4-(2,4,5-trimethylphenyl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(2,4,5-trimethylphenyl)butanoic acid Openeye Name: 4-oxo-4-(2,4,5-trimethylphenyl)butanoic acid CAS Name: 4-oxo-4-(2,4,5-trimethylphenyl)butanoic acid IUPAC Name: 4-oxo-4-(2,4,5-trimethylphenyl)butanoic acid Traditional Name: 4-keto-4-(2,4,5-trimethylphenyl)butyric acid Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CCC(=O)O)C)C

InChI

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