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

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate Openeye Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H21F3O6 MolecularWeight: 498.44725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21F3O6/c1-3-16-5-9-19(10-6-16)34-24-23(31)21-14-13-20(15-22(21)36-25(24)27(28,29)30)35-26(32)17-7-11-18(12-8-17)33-4-2/h5-15H,3-4H2,1-2H3