tris(fluoranyl)methanesulfonate; tris(4-octadecoxyphenyl)sulfanium

Systemtic Name: tris(fluoranyl)methanesulfonate; tris(4-octadecoxyphenyl)sulfanium Openeye Name: trifluoromethanesulfonate; tris(4-octadecoxyphenyl)sulfonium CAS Name: trifluoromethanesulfonate; tris(4-octadecoxyphenyl)sulfonium IUPAC Name: trifluoromethanesulfonate; tris(4-octadecoxyphenyl)sulfanium Traditional Name: tris(4-stearyloxyphenyl)sulfonium triflate Formula: C73H123F3O6S2 MolecularWeight: 1217.87933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCCCC)C3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCCCC)C3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C72H123O3S.CHF3O3S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-64-73-67-52-58-70(59-53-67)76(71-60-54-68(55-61-71)74-65-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72-62-56-69(57-63-72)75-66-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;2-1(3,4)8(5,6)7/h52-63H,4-51,64-66H2,1-3H3;(H,5,6,7)/q+1;/p-1