N2,N3-bis(3-methoxypropyl)butane-2,3-diimine; carbanide; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide

Systemtic Name: N2,N3-bis(3-methoxypropyl)butane-2,3-diimine; carbanide; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide Openeye Name: N2,N3-bis(3-methoxypropyl)butane-2,3-diimine; carbanide; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide CAS Name: N2,N3-bis(3-methoxypropyl)butane-2,3-diimine; carbanide; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide IUPAC Name: 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine; carbanide; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide Traditional Name: carbanide; 3-methoxypropyl-[2-(3-methoxypropylimino)-1-methyl-propylidene]amine; palladium(2+); tris[3,5-bis(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]boranuide Formula: C44H40BF21N2O2Pd MolecularWeight: 1144.998067

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[CH3-].CC(=NCCCOC)C(=NCCCOC)C.[Pd+2]

Isomeric SMILES

[B-](C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[CH3-].CC(=NCCCOC)C(=NCCCOC)C.[Pd+2]

InChI

InChI=1S/C31H13BF21.C12H24N2O2.CH3.Pd/c33-25(34,35)14-2-1-3-21(7-14)32(22-8-15(26(36,37)38)4-16(9-22)27(39,40)41,23-10-17(28(42,43)44)5-18(11-23)29(45,46)47)24-12-19(30(48,49)50)6-20(13-24)31(51,52)53;1-11(13-7-5-9-15-3)12(2)14-8-6-10-16-4;;/h1-13H;5-10H2,1-4H3;1H3;/q-1;;-1;+2