palladium(2+); prop-1-ene; triphenylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: palladium(2+); prop-1-ene; triphenylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: palladium(2+); prop-1-ene; trifluoromethanesulfonate; triphenylphosphane CAS Name: palladium(2+); 1-propene; trifluoromethanesulfonate; triphenylphosphine IUPAC Name: palladium(2+); prop-1-ene; trifluoromethanesulfonate; triphenylphosphane Traditional Name: palladium(2+); prop-1-ene; triphenylphosphine; triflate Formula: C40H35F3O3P2PdS MolecularWeight: 821.131832

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C=C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

[CH2-]C=C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/2C18H15P.C3H5.CHF3O3S.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-2;2-1(3,4)8(5,6)7;/h2*1-15H;3H,1-2H2;(H,5,6,7);/q;;-1;;+2/p-1