[9,10-bis(4-butylphenyl)-6-(trifluoromethylperoxysulfanyloxy)anthracen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [9,10-bis(4-butylphenyl)-6-(trifluoromethylperoxysulfanyloxy)anthracen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [9,10-bis(4-butylphenyl)-6-(trifluoromethylperoxysulfanyloxy)-2-anthryl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [9,10-bis(4-butylphenyl)-6-(trifluoromethyldioxythio)oxy-2-anthracenyl] ester IUPAC Name: [9,10-bis(4-butylphenyl)-6-(trifluoromethylperoxysulfanyloxy)anthracen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [9,10-bis(4-butylphenyl)-6-(trifluoromethylperoxythio)oxy-2-anthryl] ester Formula: C36H32F6O6S2 MolecularWeight: 738.756099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C3C=C(C=CC3=C(C4=C2C=CC(=C4)OSOOC(F)(F)F)C5=CC=C(C=C5)CCCC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C=C(C=CC3=C(C4=C2C=CC(=C4)OSOOC(F)(F)F)C5=CC=C(C=C5)CCCC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C36H32F6O6S2/c1-3-5-7-23-9-13-25(14-10-23)33-30-20-18-28(46-50(43,44)36(40,41)42)22-32(30)34(26-15-11-24(12-16-26)8-6-4-2)29-19-17-27(21-31(29)33)45-49-48-47-35(37,38)39/h9-22H,3-8H2,1-2H3