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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H19F3O6 MolecularWeight: 484.42067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19F3O6/c1-14-5-4-6-16(11-14)25(31)34-17-8-9-18-20(13-17)35-24(26(27,28)29)22(23(18)30)15-7-10-19(32-2)21(12-15)33-3/h4-13H,1-3H3