methyl 4-[[3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoate CAS Name: 4-[[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoate Traditional Name: 4-[[3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoic acid methyl 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)OCC4=CC=C(C=C4)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C27H21F3O6/c1-3-16-6-10-19(11-7-16)35-24-23(31)21-13-12-20(14-22(21)36-25(24)27(28,29)30)34-15-17-4-8-18(9-5-17)26(32)33-2/h4-14H,3,15H2,1-2H3