2-[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(4-bromophenyl)-3-oxo-propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-(4-bromophenyl)-3-oxopropyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(4-bromophenyl)-3-oxopropyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-(4-bromophenyl)-3-keto-propyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H23BrO4/c1-13-11-15(5-10-18(23)16-6-8-17(22)9-7-16)12-14(2)19(13)26-21(3,4)20(24)25/h6-9,11-12H,5,10H2,1-4H3,(H,24,25)