5-(4-chlorophenyl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-chlorophenyl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chlorophenyl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(4-chlorophenyl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(4-chlorophenyl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(4-chlorophenyl)-5-keto-3,3-dimethyl-valeric acid Formula: C13H15ClO3 MolecularWeight: 254.7094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(C=C1)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(C=C1)Cl)CC(=O)O

InChI

InChI=1S/C13H15ClO3/c1-13(2,8-12(16)17)7-11(15)9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,17)