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

Systemtic Name: 2-[4-[(E)-3-(4-bromanyl-2-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(4-bromo-2-hydroxy-phenyl)-3-oxo-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(E)-3-(4-bromo-2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(4-bromo-2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-(4-bromo-2-hydroxy-phenyl)-3-keto-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C21H21BrO5 MolecularWeight: 433.29244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO5/c1-12-9-14(10-13(2)19(12)27-21(3,4)20(25)26)5-8-17(23)16-7-6-15(22)11-18(16)24/h5-11,24H,1-4H3,(H,25,26)/b8-5+