(2-tert-butylphenyl)-diphenyl-sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate

Systemtic Name: (2-tert-butylphenyl)-diphenyl-sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate Openeye Name: (2-tert-butylphenyl)-diphenyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: (2-tert-butylphenyl)-diphenylsulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate IUPAC Name: (2-tert-butylphenyl)-diphenylsulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: (2-tert-butylphenyl)-diphenyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C30H23F17O3S2 MolecularWeight: 818.604674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23S.C8HF17O3S/c1-22(2,3)20-16-10-11-17-21(20)23(18-12-6-4-7-13-18)19-14-8-5-9-15-19;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h4-17H,1-3H3;(H,26,27,28)/q+1;/p-1