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

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [3-(4-ethylphenoxy)-4-oxo-chromen-7-yl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [3-(4-ethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethylphenoxy)-4-oxochromen-7-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [3-(4-ethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H22BrClO6 MolecularWeight: 557.81698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CCC1=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/C27H22BrClO6/c1-2-17-5-8-19(9-6-17)34-25-16-33-24-15-20(10-11-21(24)27(25)31)35-26(30)4-3-13-32-23-12-7-18(28)14-22(23)29/h5-12,14-16H,2-4,13H2,1H3