(E)-but-2-ene; palladium(2+); tricyclopentylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: (E)-but-2-ene; palladium(2+); tricyclopentylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: (E)-but-2-ene; palladium(2+); tricyclopentylphosphane; trifluoromethanesulfonate CAS Name: (E)-2-butene; palladium(2+); tricyclopentylphosphine; trifluoromethanesulfonate IUPAC Name: (E)-but-2-ene; palladium(2+); tricyclopentylphosphane; trifluoromethanesulfonate Traditional Name: (E)-but-2-ene; palladium(2+); tricyclopentylphosphine; triflate Formula: C20H34F3O3PPdS MolecularWeight: 548.936131

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Descriptors Computed from Structure

Canonical SMILES:

CC=C[CH2-].C1CCC(C1)P(C2CCCC2)C3CCCC3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

C/C=C/[CH2-].C1CCC(C1)P(C2CCCC2)C3CCCC3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C15H27P.C4H7.CHF3O3S.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;1-3-4-2;2-1(3,4)8(5,6)7;/h13-15H,1-12H2;3-4H,1H2,2H3;(H,5,6,7);/q;-1;;+2/p-1/b;4-3+;;