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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-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] 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC(=C4)C

InChI

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