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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-(2-bromanyl-4-ethyl-phenoxy)butanoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-chromen-7-yl] 4-(2-bromo-4-ethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid [3-(4-chlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-(2-bromo-4-ethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid [3-(4-chlorophenyl)-4-keto-chromen-7-yl] ester Formula: C27H22BrClO5 MolecularWeight: 541.81758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C27H22BrClO5/c1-2-17-5-12-24(23(28)14-17)32-13-3-4-26(30)34-20-10-11-21-25(15-20)33-16-22(27(21)31)18-6-8-19(29)9-7-18/h5-12,14-16H,2-4,13H2,1H3