1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol; trifluoromethanesulfonate CAS Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol; trifluoromethanesulfonate IUPAC Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol; trifluoromethanesulfonate Traditional Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-4-thiol triflate Formula: C7H13F3O3S3 MolecularWeight: 298.36653

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Descriptors Computed from Structure

Canonical SMILES:

C[SH+]1=CCC(CC1)S.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[SH+]1=CCC(CC1)S.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H12S2.CHF3O3S/c1-8-4-2-6(7)3-5-8;2-1(3,4)8(5,6)7/h4,6-7H,2-3,5H2,1H3;(H,5,6,7)