[3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H17F3O5 MolecularWeight: 454.39469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4C)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4C)C(F)(F)F

InChI

InChI=1S/C25H17F3O5/c1-14-6-5-8-16(12-14)31-22-21(29)19-11-10-17(13-20(19)33-23(22)25(26,27)28)32-24(30)18-9-4-3-7-15(18)2/h3-13H,1-2H3