trioctadecylsulfanium sulfate

Systemtic Name: trioctadecylsulfanium sulfate Openeye Name: trioctadecylsulfonium sulfate CAS Name: trioctadecylsulfonium sulfate IUPAC Name: trioctadecylsulfanium sulfate Traditional Name: tristearylsulfonium sulfate Formula: C54H111O4S2- MolecularWeight: 888.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H111S.H2O4S/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(2,3)4/h4-54H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2