(E)-4-[(2-bromophenyl)methyl]-7-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-hept-6-enoic acid

Systemtic Name: (E)-4-[(2-bromophenyl)methyl]-7-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-hept-6-enoic acid Openeye Name: (E)-4-[(2-bromophenyl)methyl]-7-(4-chlorophenyl)-5-oxo-4-phenyl-hept-6-enoic acid CAS Name: (E)-4-[(2-bromophenyl)methyl]-7-(4-chlorophenyl)-5-oxo-4-phenyl-6-heptenoic acid IUPAC Name: (E)-4-[(2-bromophenyl)methyl]-7-(4-chlorophenyl)-5-oxo-4-phenylhept-6-enoic acid Traditional Name: (E)-4-(2-bromobenzyl)-7-(4-chlorophenyl)-5-keto-4-phenyl-hept-6-enoic acid Formula: C26H22BrClO3 MolecularWeight: 497.80808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)O)(CC2=CC=CC=C2Br)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)O)(CC2=CC=CC=C2Br)C(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H22BrClO3/c27-23-9-5-4-6-20(23)18-26(17-16-25(30)31,21-7-2-1-3-8-21)24(29)15-12-19-10-13-22(28)14-11-19/h1-15H,16-18H2,(H,30,31)/b15-12+