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2-dodecylsulfanyl-3,4,4-trimethyl-5H-1,3-thiazol-3-ium; methyl sulfate

2-dodecylsulfanyl-3,4,4-trimethyl-5H-1,3-thiazol-3-ium; methyl sulfate

Systemtic Name:2-dodecylsulfanyl-3,4,4-trimethyl-5H-1,3-thiazol-3-ium; methyl sulfate
Openeye Name:2-dodecylsulfanyl-3,4,4-trimethyl-5H-thiazol-3-ium; methyl sulfate
CAS Name:2-(dodecylthio)-3,4,4-trimethyl-5H-thiazol-3-ium; methyl sulfate
IUPAC Name:2-dodecylsulfanyl-3,4,4-trimethyl-5H-1,3-thiazol-3-ium; methyl sulfate
Traditional Name:2-(laurylthio)-3,4,4-trimethyl-2-thiazolin-3-ium; methyl sulfate
Formula: C19H39NO4S3
MolecularWeight: 441.71226
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=[N+](C(CS1)(C)C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCSC1=[N+](C(CS1)(C)C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C18H36NS2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-20-17-19(4)18(2,3)16-21-17;1-5-6(2,3)4/h5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


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