6-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-3,3-dimethyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 6-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-3,3-dimethyl-5-oxidanylidene-hexanoic acid Openeye Name: 6-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-3,3-dimethyl-5-oxo-hexanoic acid CAS Name: 6-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-3,3-dimethyl-5-oxohexanoic acid IUPAC Name: 6-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-3,3-dimethyl-5-oxohexanoic acid Traditional Name: 6-[4-(4-chlorophenyl)-2,6-dimethyl-phenyl]-5-keto-3,3-dimethyl-hexanoic acid Formula: C22H25ClO3 MolecularWeight: 372.8851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)CC(C)(C)CC(=O)O)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)CC(C)(C)CC(=O)O)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClO3/c1-14-9-17(16-5-7-18(23)8-6-16)10-15(2)20(14)11-19(24)12-22(3,4)13-21(25)26/h5-10H,11-13H2,1-4H3,(H,25,26)