1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate; tris(4-tert-butylphenyl)sulfonium Formula: C34H39F9O3S2 MolecularWeight: 730.787289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39S.C4HF9O3S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-21H,1-9H3;(H,14,15,16)/q+1;/p-1