(E)-6-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hex-2-enoic acid

Systemtic Name: (E)-6-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hex-2-enoic acid Openeye Name: (E)-6-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hex-2-enoic acid CAS Name: (E)-6-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]-2-hexenoic acid IUPAC Name: (E)-6-[3-(4-chlorobenzoyl)-2-methylphenyl]hex-2-enoic acid Traditional Name: (E)-6-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hex-2-enoic acid Formula: C20H19ClO3 MolecularWeight: 342.81606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCC=CC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCC/C=C/C(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H19ClO3/c1-14-15(6-3-2-4-9-19(22)23)7-5-8-18(14)20(24)16-10-12-17(21)13-11-16/h4-5,7-13H,2-3,6H2,1H3,(H,22,23)/b9-4+