2-[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO4/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/h5-12H,1-4H3,(H,24,25)/b10-5+