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

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [6-ethyl-3-(4-iodophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15BrF3IO5 MolecularWeight: 659.18728

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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)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H15BrF3IO5/c1-2-13-11-18-20(12-19(13)35-24(32)14-3-5-15(26)6-4-14)34-23(25(27,28)29)22(21(18)31)33-17-9-7-16(30)8-10-17/h3-12H,2H2,1H3