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

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H18BrF3O5 MolecularWeight: 547.31733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

InChI

InChI=1S/C26H18BrF3O5/c1-14(2)18-8-3-4-9-20(18)34-23-22(31)19-11-10-17(13-21(19)35-24(23)26(28,29)30)33-25(32)15-6-5-7-16(27)12-15/h3-14H,1-2H3