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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)C)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)C)C(F)(F)F

InChI

InChI=1S/C26H19F3O5/c1-3-16-7-9-18(10-8-16)32-23-22(30)20-12-11-19(14-21(20)34-24(23)26(27,28)29)33-25(31)17-6-4-5-15(2)13-17/h4-14H,3H2,1-2H3