cyclopentyl(diphenyl)phosphane; ethanenitrile; iron(2+); palladium; tris(fluoranyl)methanesulfonic acid; hydrate

Systemtic Name: cyclopentyl(diphenyl)phosphane; ethanenitrile; iron(2+); palladium; tris(fluoranyl)methanesulfonic acid; hydrate Openeye Name: ferrous; acetonitrile; cyclopentyl(diphenyl)phosphane; palladium; trifluoromethanesulfonic acid; hydrate CAS Name: acetonitrile; cyclopentyl(diphenyl)phosphine; iron(2+); palladium; trifluoromethanesulfonic acid; hydrate IUPAC Name: acetonitrile; cyclopentyl(diphenyl)phosphane; iron(2+); palladium; trifluoromethanesulfonic acid; hydrate Traditional Name: ferrous; acetonitrile; cyclopentyl(diphenyl)phosphine; palladium; triflic acid; hydrate Formula: C38H45F6FeNO7P2PdS2+2 MolecularWeight: 1030.099341

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O.[Fe+2].[Pd]

Isomeric SMILES

CC#N.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O.[Fe+2].[Pd]

InChI

InChI=1S/2C17H19P.C2H3N.2CHF3O3S.Fe.H2O.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-3;2*2-1(3,4)8(5,6)7;;;/h2*1-6,9-12,17H,7-8,13-14H2;1H3;2*(H,5,6,7);;1H2;/q;;;;;+2;;