(2,3,4-tritert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,3,4-tritert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (2,3,4-tritert-butylphenyl)sulfonium; trifluoromethanesulfonate CAS Name: (2,3,4-tritert-butylphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: (2,3,4-tritert-butylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: (2,3,4-tritert-butylphenyl)sulfonium triflate Formula: C19H31F3O3S2 MolecularWeight: 428.57285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)[SH2+])C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)[SH2+])C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H30S.CHF3O3S/c1-16(2,3)12-10-11-13(19)15(18(7,8)9)14(12)17(4,5)6;2-1(3,4)8(5,6)7/h10-11,19H,1-9H3;(H,5,6,7)