3-butyl-1-(2-ethylhexyl)-1-iodanyl-urea; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-butyl-1-(2-ethylhexyl)-1-iodanyl-urea; tris(fluoranyl)methanesulfonate Openeye Name: 3-butyl-1-(2-ethylhexyl)-1-iodo-urea; trifluoromethanesulfonate CAS Name: 3-butyl-1-(2-ethylhexyl)-1-iodourea; trifluoromethanesulfonate IUPAC Name: 3-butyl-1-(2-ethylhexyl)-1-iodourea; trifluoromethanesulfonate Traditional Name: 3-butyl-1-(2-ethylhexyl)-1-iodo-urea triflate Formula: C14H27F3IN2O4S- MolecularWeight: 503.33986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(C(=O)NCCCC)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)CN(C(=O)NCCCC)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H27IN2O.CHF3O3S/c1-4-7-9-12(6-3)11-16(14)13(17)15-10-8-5-2;2-1(3,4)8(5,6)7/h12H,4-11H2,1-3H3,(H,15,17);(H,5,6,7)/p-1