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

Systemtic Name: tris(fluoranyl)methanesulfonate; tris(4-hexadecoxyphenyl)sulfanium Openeye Name: trifluoromethanesulfonate; tris(4-hexadecoxyphenyl)sulfonium CAS Name: trifluoromethanesulfonate; tris(4-hexadecoxyphenyl)sulfonium IUPAC Name: trifluoromethanesulfonate; tris(4-hexadecoxyphenyl)sulfanium Traditional Name: tris(4-cetyloxyphenyl)sulfonium triflate Formula: C67H111F3O6S2 MolecularWeight: 1133.71985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)C3=CC=C(C=C3)OCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OCCCCCCCCCCCCCCCC)C3=CC=C(C=C3)OCCCCCCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C66H111O3S.CHF3O3S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-58-67-61-46-52-64(53-47-61)70(65-54-48-62(49-55-65)68-59-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-56-50-63(51-57-66)69-60-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;2-1(3,4)8(5,6)7/h46-57H,4-45,58-60H2,1-3H3;(H,5,6,7)/q+1;/p-1