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

Systemtic Name: (E)-but-2-ene; palladium(2+); tricyclohexylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: (E)-but-2-ene; palladium(2+); tricyclohexylphosphane; trifluoromethanesulfonate CAS Name: (E)-2-butene; palladium(2+); tricyclohexylphosphine; trifluoromethanesulfonate IUPAC Name: (E)-but-2-ene; palladium(2+); tricyclohexylphosphane; trifluoromethanesulfonate Traditional Name: (E)-but-2-ene; palladium(2+); tricyclohexylphosphine; triflate Formula: C23H40F3O3PPdS MolecularWeight: 591.015871

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Descriptors Computed from Structure

Canonical SMILES:

CC=C[CH2-].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

C/C=C/[CH2-].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C18H33P.C4H7.CHF3O3S.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-2;2-1(3,4)8(5,6)7;/h16-18H,1-15H2;3-4H,1H2,2H3;(H,5,6,7);/q;-1;;+2/p-1/b;4-3+;;