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

Systemtic Name: bis(4-octadecoxyphenyl)-phenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-octadecoxyphenyl)-phenyl-sulfonium; trifluoromethanesulfonate CAS Name: bis(4-octadecoxyphenyl)-phenylsulfonium; trifluoromethanesulfonate IUPAC Name: bis(4-octadecoxyphenyl)-phenylsulfanium; trifluoromethanesulfonate Traditional Name: phenyl-bis(4-stearyloxyphenyl)sulfonium triflate Formula: C55H87F3O5S2 MolecularWeight: 949.40149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H87O2S.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-48-55-50-40-44-53(45-41-50)57(52-38-34-33-35-39-52)54-46-42-51(43-47-54)56-49-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h33-35,38-47H,3-32,36-37,48-49H2,1-2H3;(H,5,6,7)/q+1;/p-1