5-[4-(2-chlorophenyl)carbonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[4-(2-chlorophenyl)carbonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(2-chlorobenzoyl)-3,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-[(2-chlorophenyl)-oxomethyl]-3,5-dimethylphenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(2-chlorobenzoyl)-3,5-dimethylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-(2-chlorobenzoyl)-3,5-dimethyl-phenoxy]-2,2-dimethyl-valeric acid Formula: C22H25ClO4 MolecularWeight: 388.8845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2Cl)C)OCCCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2Cl)C)OCCCC(C)(C)C(=O)O

InChI

InChI=1S/C22H25ClO4/c1-14-12-16(27-11-7-10-22(3,4)21(25)26)13-15(2)19(14)20(24)17-8-5-6-9-18(17)23/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,25,26)