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

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-phenyl-acetic acid Formula: C25H21BrO4 MolecularWeight: 465.33584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C2=CC=CC=C2)C(=O)O)C)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C2=CC=CC=C2)C(=O)O)C)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H21BrO4/c1-16-14-18(8-13-22(27)19-9-11-21(26)12-10-19)15-17(2)23(16)30-24(25(28)29)20-6-4-3-5-7-20/h3-15,24H,1-2H3,(H,28,29)/b13-8+