S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ethanethioate; tris(fluoranyl)methanesulfonate

Systemtic Name: S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ethanethioate; tris(fluoranyl)methanesulfonate Openeye Name: S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ethanethioate; trifluoromethanesulfonate CAS Name: ethanethioic acid S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ester; trifluoromethanesulfonate IUPAC Name: S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ethanethioate; trifluoromethanesulfonate Traditional Name: ethanethioic acid S-(1-methyl-2,3,4,5-tetrahydrothiopyran-4-yl) ester triflate Formula: C9H15F3O4S3 MolecularWeight: 340.40321

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC[SH+](=CC1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)SC1CC[SH+](=CC1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H14OS2.CHF3O3S/c1-7(9)10-8-3-5-11(2)6-4-8;2-1(3,4)8(5,6)7/h5,8H,3-4,6H2,1-2H3;(H,5,6,7)