2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-pyran-4-one

Systemtic Name: 2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-pyran-4-one Openeye Name: 6-hydroxy-2-isopentyl-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-pyran-4-one CAS Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methylthio]-3H-pyran-4-one IUPAC Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isoamyl-2-phenyl-5-[[2-(trifluoromethyl)benzyl]thio]-3H-pyran-4-one Formula: C24H25F3O3S MolecularWeight: 450.51371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C24H25F3O3S/c1-16(2)12-13-23(18-9-4-3-5-10-18)14-20(28)21(22(29)30-23)31-15-17-8-6-7-11-19(17)24(25,26)27/h3-11,16,29H,12-15H2,1-2H3