[(4-methylphenyl)sulfonyl-(3-phenethyl-5-tributylstannyl-pent-4-ynyl)amino]-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [(4-methylphenyl)sulfonyl-(3-phenethyl-5-tributylstannyl-pent-4-ynyl)amino]-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: [(3-phenethyl-5-tributylstannyl-pent-4-ynyl)-(p-tolylsulfonyl)amino]-phenyl-iodonium; trifluoromethanesulfonate CAS Name: [(4-methylphenyl)sulfonyl-(3-phenethyl-5-tributylstannylpent-4-ynyl)amino]-phenyliodonium; trifluoromethanesulfonate IUPAC Name: [(4-methylphenyl)sulfonyl-(3-phenethyl-5-tributylstannylpent-4-ynyl)amino]-phenyliodanium; trifluoromethanesulfonate Traditional Name: [(3-phenethyl-5-tributylstannyl-pent-4-ynyl)-tosyl-amino]-phenyl-iodonium triflate Formula: C39H53F3INO5S2Sn MolecularWeight: 982.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C#CC(CCC1=CC=CC=C1)CCN(S(=O)(=O)C2=CC=C(C=C2)C)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C#CC(CCC1=CC=CC=C1)CCN(S(=O)(=O)C2=CC=C(C=C2)C)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H26INO2S.3C4H9.CHF3O3S.Sn/c1-3-23(16-17-24-10-6-4-7-11-24)20-21-28(27-25-12-8-5-9-13-25)31(29,30)26-18-14-22(2)15-19-26;3*1-3-4-2;2-1(3,4)8(5,6)7;/h4-15,18-19,23H,16-17,20-21H2,2H3;3*1,3-4H2,2H3;(H,5,6,7);/q+1;;;;;/p-1