6-oxidanyl-5-(phenylmethylsulfanyl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one

Systemtic Name: 6-oxidanyl-5-(phenylmethylsulfanyl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one CAS Name: 6-hydroxy-5-(phenylmethylthio)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyran-4-one Formula: C19H15F3O3S MolecularWeight: 380.38081

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3O3S/c20-19(21,22)14-8-6-13(7-9-14)16-10-15(23)17(18(24)25-16)26-11-12-4-2-1-3-5-12/h1-9,16,24H,10-11H2