methanesulfonate; 1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium

Systemtic Name: methanesulfonate; 1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium Openeye Name: methanesulfonate; 1-methyl-4-(1-methyltetrahydrothiopyran-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium CAS Name: methanesulfonate; 1-methyl-4-(1-methyl-4-thian-1-iumyl)-3,6-dihydro-2H-thiopyran-1-ium IUPAC Name: methanesulfonate; 1-methyl-4-(1-methylthian-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium Traditional Name: 1-methyl-4-(1-methyltetrahydrothiopyran-1-ium-4-yl)-3,6-dihydro-2H-thiopyran-1-ium dimesylate Formula: C14H28O6S4 MolecularWeight: 420.62852

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CCC(CC1)C2=CC[S+](CC2)C.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

C[S+]1CCC(CC1)C2=CC[S+](CC2)C.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C12H22S2.2CH4O3S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5(2,3)4/h3,12H,4-10H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2