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

Systemtic Name: bis(4-hexadecoxyphenyl)-phenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-hexadecoxyphenyl)-phenyl-sulfonium; trifluoromethanesulfonate CAS Name: bis(4-hexadecoxyphenyl)-phenylsulfonium; trifluoromethanesulfonate IUPAC Name: bis(4-hexadecoxyphenyl)-phenylsulfanium; trifluoromethanesulfonate Traditional Name: bis(4-cetyloxyphenyl)-phenyl-sulfonium triflate Formula: C51H79F3O5S2 MolecularWeight: 893.29517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H79O2S.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-44-51-46-36-40-49(41-37-46)53(48-34-30-29-31-35-48)50-42-38-47(39-43-50)52-45-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h29-31,34-43H,3-28,32-33,44-45H2,1-2H3;(H,5,6,7)/q+1;/p-1