Structural Complex
Chemical ID: PLL
IUPAC Name: Palladium(II) allyl complex
Formal Charge: ?
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 H5 Pd
Molecular weight: 147.492
Hydrogen Bond Acceptor: 0
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 4
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 1$l^{3}-palladabicyclo[1.1.0]butane
ACDLabs 14.52 [(1,2,3-eta)-prop-1-en-3-yl]palladium
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 [CH2]1=[CH]2C[Pd]12
InChI InChI 1.06 InChI=1S/C3H5.Pd/c1-3-2;/h3H,1-2H2;
InChIKey InChI 1.06 WTWGCTVOVPTEEU-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [Pd]CC=C
SMILES CACTVS 3.385 [Pd]CC=C
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 [CH2]1=[CH]2[Pd]1C2
SMILES OpenEye OEToolkits 3.1.0.0 [CH2]1=[CH]2[Pd]1C2
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