(2S)-2-[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxypropanoate

Systemtic Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxypropanoate Openeye Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate CAS Name: (2S)-2-[[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]propanoate IUPAC Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate Traditional Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxypropionate Formula: C23H20F3O6- MolecularWeight: 449.39651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H21F3O6/c1-12(21(28)29)30-15-9-10-16-17(11-15)32-20(23(24,25)26)19(18(16)27)31-14-7-5-13(6-8-14)22(2,3)4/h5-12H,1-4H3,(H,28,29)/p-1/t12-/m0/s1