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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] butanoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C22H19F3O6 MolecularWeight: 436.37787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H19F3O6/c1-4-5-18(26)30-13-7-8-14-16(11-13)31-21(22(23,24)25)19(20(14)27)12-6-9-15(28-2)17(10-12)29-3/h6-11H,4-5H2,1-3H3