5-[[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate

Systemtic Name: 5-[[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate Openeye Name: 5-[[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylate IUPAC Name: 5-[[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxymethyl]-2-furoate Formula: C24H16F3O7- MolecularWeight: 473.37485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C24H17F3O7/c1-12-7-13(2)9-16(8-12)33-21-20(28)17-5-3-14(10-19(17)34-22(21)24(25,26)27)31-11-15-4-6-18(32-15)23(29)30/h3-10H,11H2,1-2H3,(H,29,30)/p-1