(E)-but-2-ene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: (E)-but-2-ene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); tris(fluoranyl)methanesulfonate Openeye Name: (E)-but-2-ene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); trifluoromethanesulfonate CAS Name: (E)-2-butene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); trifluoromethanesulfonate IUPAC Name: (E)-but-2-ene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); trifluoromethanesulfonate Traditional Name: (E)-but-2-ene; (1Z,5Z)-cycloocta-1,5-diene; palladium(2+); triflate Formula: C13H19F3O3PdS MolecularWeight: 418.76837

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Descriptors Computed from Structure

Canonical SMILES:

CC=C[CH2-].C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

C/C=C/[CH2-].C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Pd+2]

InChI

InChI=1S/C8H12.C4H7.CHF3O3S.Pd/c1-2-4-6-8-7-5-3-1;1-3-4-2;2-1(3,4)8(5,6)7;/h1-2,7-8H,3-6H2;3-4H,1H2,2H3;(H,5,6,7);/q;-1;;+2/p-1/b2-1-,8-7-;4-3+;;