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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson

Fig. 2

(Top) Molfile in v3000 format for Zeise’s salt (potassium trichloro(ethylene)platinate(II) hydrate, K[PtCl3(C2H4)]H2O), with the potassium cation and a lattice water molecule removed for clarity. Generated with ChemDraw 20 using explicit hydrogen atoms. Field values read in by the program are highlighted in bold red font. In the lower right inset, the structure is shown with lines indicating bonding interactions, as defined in the bond block of the molfile. (Bottom) TUCAN string for Zeise’s salt as shown above with color coding of the elements as in the inset

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