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

Systemtic Name: 5-[3-(4-chlorophenyl)carbonylphenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[3-(4-chlorobenzoyl)phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[3-[(4-chlorophenyl)-oxomethyl]phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[3-(4-chlorobenzoyl)phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[3-(4-chlorobenzoyl)phenoxy]-2,2-dimethyl-valeric acid Formula: C20H21ClO4 MolecularWeight: 360.83134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H21ClO4/c1-20(2,19(23)24)11-4-12-25-17-6-3-5-15(13-17)18(22)14-7-9-16(21)10-8-14/h3,5-10,13H,4,11-12H2,1-2H3,(H,23,24)