[3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate Openeye Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16BrF3O5 MolecularWeight: 533.29075

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

InChI

InChI=1S/C25H16BrF3O5/c1-2-14-6-8-17(9-7-14)32-22-21(30)19-11-10-18(13-20(19)34-23(22)25(27,28)29)33-24(31)15-4-3-5-16(26)12-15/h3-13H,2H2,1H3