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

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-chromen-7-yl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [3-(2-isopropylphenoxy)-4-keto-chromen-7-yl] ester Formula: C28H24BrClO6 MolecularWeight: 571.84356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCOC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C28H24BrClO6/c1-17(2)20-6-3-4-7-23(20)36-26-16-34-25-15-19(10-11-21(25)28(26)32)35-27(31)8-5-13-33-24-12-9-18(29)14-22(24)30/h3-4,6-7,9-12,14-17H,5,8,13H2,1-2H3