3-hexyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-[3-(trifluoromethyl)benzyl]oxy-coumarin Formula: C25H27F3O3 MolecularWeight: 432.47529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)C)OC1=O)C

InChI

InChI=1S/C25H27F3O3/c1-4-5-6-7-11-21-16(2)20-12-13-22(17(3)23(20)31-24(21)29)30-15-18-9-8-10-19(14-18)25(26,27)28/h8-10,12-14H,4-7,11,15H2,1-3H3