7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 7-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-4-(trifluoromethyl)chromen-2-one Openeye Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-(trifluoromethyl)chromen-2-one CAS Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 7-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]-4-(trifluoromethyl)chromen-2-one Traditional Name: 7-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]-4-(trifluoromethyl)coumarin Formula: C26H27F3O6 MolecularWeight: 492.48419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C26H27F3O6/c1-15(2)12-21(30)19-8-9-22(16(3)25(19)32)34-11-5-4-10-33-17-6-7-18-20(26(27,28)29)14-24(31)35-23(18)13-17/h6-9,13-15,32H,4-5,10-12H2,1-3H3