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

Systemtic Name: [3-(4-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [3-(4-methylphenoxy)-4-oxo-chromen-7-yl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [3-(4-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methylphenoxy)-4-oxochromen-7-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [4-keto-3-(4-methylphenoxy)chromen-7-yl] ester Formula: C26H20BrClO6 MolecularWeight: 543.7904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C26H20BrClO6/c1-16-4-7-18(8-5-16)33-24-15-32-23-14-19(9-10-20(23)26(24)30)34-25(29)3-2-12-31-22-11-6-17(27)13-21(22)28/h4-11,13-15H,2-3,12H2,1H3