[3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-chromen-7-yl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [3-(4-chlorophenyl)-4-keto-chromen-7-yl] ester Formula: C25H17BrCl2O5 MolecularWeight: 548.20948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl)Cl

InChI

InChI=1S/C25H17BrCl2O5/c26-16-5-10-22(21(28)12-16)31-11-1-2-24(29)33-18-8-9-19-23(13-18)32-14-20(25(19)30)15-3-6-17(27)7-4-15/h3-10,12-14H,1-2,11H2