51370-16-2
1,1'-(OXYDIMETHYLENE)BIS(3-(METHYLSULFONYL)PYRIDINIUM CHLORIDE)
Name1,1'-(OXYDIMETHYLENE)BIS(3-(METHYLSULFONYL)PYRIDINIUM CHLORIDE)
FormulaC14 H18 N2 O5 S2 . 2 Cl
1Identification
【Name】
1,1'-(OXYDIMETHYLENE)BIS(3-(METHYLSULFONYL)PYRIDINIUM CHLORIDE)
【CAS】
【MDL】
MFCD01690924
【English Synonyms】
【Formula】
C14 H18 N2 O5 S2 . 2 Cl
【MolWeight】
429.343
【Inchi】
InChI=1S/C14H18N2O5S2.2ClH/c1-22(17,18)13-5-3-7-15(9-13)11-21-12-16-8-4-6-14(10-16)23(2,19)20;;/h3-10H,11-12H2,1-2H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=MZCAWHICNSFNJY-UHFFFAOYSA-L
【SMILES】
CS(=O)(=O)c1ccc[n+](c1)COC[n+]2cccc(c2)S(=O)(=O)C.[Cl-].[Cl-]
【MOL File】
1,1'-(OXYDIMETHYLENE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-(OXYDIMETHYLENE)BIS(3-(METHYLSULFONYL)PYRIDINIUM CHLORIDE).cml