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

Systemtic Name: 6-hexyl-4-phenyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Openeye Name: 6-hexyl-4-phenyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one CAS Name: 6-hexyl-4-phenyl-7-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 6-hexyl-4-phenyl-7-[[3-(trifluoromethyl)phenyl]methoxy]chromen-2-one Traditional Name: 6-hexyl-4-phenyl-7-[3-(trifluoromethyl)benzyl]oxy-coumarin Formula: C29H27F3O3 MolecularWeight: 480.51809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C29H27F3O3/c1-2-3-4-6-13-22-16-25-24(21-11-7-5-8-12-21)17-28(33)35-27(25)18-26(22)34-19-20-10-9-14-23(15-20)29(30,31)32/h5,7-12,14-18H,2-4,6,13,19H2,1H3