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methyl sulfate; trioctadecylsulfanium

methyl sulfate; trioctadecylsulfanium

Systemtic Name:methyl sulfate; trioctadecylsulfanium
Openeye Name:methyl sulfate; trioctadecylsulfonium
CAS Name:methyl sulfate; trioctadecylsulfonium
IUPAC Name:methyl sulfate; trioctadecylsulfanium
Traditional Name:methyl sulfate; tristearylsulfonium
Formula: C55H114O4S2
MolecularWeight: 903.62126
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]


InChI

InChI=1S/C54H111S.CH4O4S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-5-6(2,3)4/h4-54H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


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