3-[4-(2-methylpentan-2-yl)phenoxy]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-[4-(2-methylpentan-2-yl)phenoxy]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-[4-(1,1-dimethylbutyl)phenoxy]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-[4-(2-methylpentan-2-yl)phenoxy]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-[4-(2-methylpentan-2-yl)phenoxy]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-[4-(1,1-dimethylbutyl)phenoxy]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C22H21F3O4 MolecularWeight: 406.39495

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F

Isomeric SMILES

CCCC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F

InChI

InChI=1S/C22H21F3O4/c1-4-11-21(2,3)13-5-8-15(9-6-13)28-19-18(27)16-10-7-14(26)12-17(16)29-20(19)22(23,24)25/h5-10,12,26H,4,11H2,1-3H3