(3-azanyl-4-ethoxy-4-oxidanylidene-butyl)-methyl-(3-methylbut-2-enyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-azanyl-4-ethoxy-4-oxidanylidene-butyl)-methyl-(3-methylbut-2-enyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-amino-4-ethoxy-4-oxo-butyl)-methyl-(3-methylbut-2-enyl)sulfonium; trifluoromethanesulfonate CAS Name: (3-amino-4-ethoxy-4-oxobutyl)-methyl-(3-methylbut-2-enyl)sulfonium; trifluoromethanesulfonate IUPAC Name: (3-amino-4-ethoxy-4-oxobutyl)-methyl-(3-methylbut-2-enyl)sulfanium; trifluoromethanesulfonate Traditional Name: (3-amino-4-ethoxy-4-keto-butyl)-methyl-(3-methylbut-2-enyl)sulfonium triflate Formula: C13H24F3NO5S2 MolecularWeight: 395.45857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[S+](C)CC=C(C)C)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC[S+](C)CC=C(C)C)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H24NO2S.CHF3O3S/c1-5-15-12(14)11(13)7-9-16(4)8-6-10(2)3;2-1(3,4)8(5,6)7/h6,11H,5,7-9,13H2,1-4H3;(H,5,6,7)/q+1;/p-1