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

Systemtic Name: [3-(2-ethoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate Openeye Name: [3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [3-(2-ethoxyphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H21F3O6 MolecularWeight: 498.44725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)C)C)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C=C4)C)C)C(F)(F)F

InChI

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