4-butyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one

Systemtic Name: 4-butyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Openeye Name: 4-butyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one CAS Name: 4-butyl-7-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Traditional Name: 4-butyl-7-[3-(trifluoromethyl)benzyl]oxy-coumarin Formula: C21H19F3O3 MolecularWeight: 376.36897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3O3/c1-2-3-6-15-11-20(25)27-19-12-17(8-9-18(15)19)26-13-14-5-4-7-16(10-14)21(22,23)24/h4-5,7-12H,2-3,6,13H2,1H3