[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C27H21BrCl2O6 MolecularWeight: 592.26204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C27H21BrCl2O6/c1-15-10-19(11-16(2)26(15)30)35-24-14-34-23-13-18(6-7-20(23)27(24)32)36-25(31)4-3-9-33-22-8-5-17(28)12-21(22)29/h5-8,10-14H,3-4,9H2,1-2H3