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

Systemtic Name: 6-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-6-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-pyran-4-one CAS Name: 6-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-6-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxypyran-4-one Traditional Name: 3-(benzylthio)-6-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-pyran-4-one Formula: C20H12F6O3S MolecularWeight: 446.362899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C20H12F6O3S/c21-19(22,23)13-6-12(7-14(8-13)20(24,25)26)16-9-15(27)17(18(28)29-16)30-10-11-4-2-1-3-5-11/h1-9,28H,10H2