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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)OC

InChI

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