1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate

Systemtic Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate Openeye Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate CAS Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate IUPAC Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate Traditional Name: 1-methyl-2,3,4,5-tetrahydrothiopyran-2-sulfonate Formula: C6H12O3S2 MolecularWeight: 196.28768

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Descriptors Computed from Structure

Canonical SMILES:

C[SH+]1=CCCCC1S(=O)(=O)[O-]

Isomeric SMILES

C[SH+]1=CCCCC1S(=O)(=O)[O-]

InChI

InChI=1S/C6H12O3S2/c1-10-5-3-2-4-6(10)11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)