[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20ClF3O6 MolecularWeight: 532.89231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C27H20ClF3O6/c1-4-34-17-7-5-16(6-8-17)26(33)36-18-9-10-20-21(13-18)37-25(27(29,30)31)24(23(20)32)35-19-11-14(2)22(28)15(3)12-19/h5-13H,4H2,1-3H3