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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClO4/c1-14-13-19(27-11-5-10-22(3,4)21(25)26)15(2)12-18(14)20(24)16-6-8-17(23)9-7-16/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,26)