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

Systemtic Name: [3-(4-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate Openeye Name: [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-keto-3-(4-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H19F3O5 MolecularWeight: 468.42127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)C)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)C)C)C(F)(F)F

InChI

InChI=1S/C26H19F3O5/c1-14-4-8-18(9-5-14)32-23-22(30)20-11-10-19(13-21(20)34-24(23)26(27,28)29)33-25(31)17-7-6-15(2)16(3)12-17/h4-13H,1-3H3