1,1,1,2,2,3,3,4,4,4-decakis(fluoranyl)butane; naphthalen-1-yl(diphenyl)sulfanium; sulfate

Systemtic Name: 1,1,1,2,2,3,3,4,4,4-decakis(fluoranyl)butane; naphthalen-1-yl(diphenyl)sulfanium; sulfate Openeye Name: 1,1,1,2,2,3,3,4,4,4-decafluorobutane; 1-naphthyl(diphenyl)sulfonium; sulfate CAS Name: 1,1,1,2,2,3,3,4,4,4-decafluorobutane; 1-naphthalenyl(diphenyl)sulfonium; sulfate IUPAC Name: 1,1,1,2,2,3,3,4,4,4-decafluorobutane; naphthalen-1-yl(diphenyl)sulfanium; sulfate Traditional Name: 1,1,1,2,2,3,3,4,4,4-decafluorobutane; 1-naphthyl(diphenyl)sulfonium; sulfate Formula: C48H34F10O4S3 MolecularWeight: 960.960192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C22H17S.C4F10.H2O4S/c2*1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4/h2*1-17H;;(H2,1,2,3,4)/q2*+1;;/p-2