[6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-ethyl-3-(4-iodophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H20F3IO5 MolecularWeight: 560.30158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C(C)(C)C

InChI

InChI=1S/C23H20F3IO5/c1-5-12-10-15-17(11-16(12)32-21(29)22(2,3)4)31-20(23(24,25)26)19(18(15)28)30-14-8-6-13(27)7-9-14/h6-11H,5H2,1-4H3