2 How to label atoms or groups "backwards" in ChemDraw 17 What is the correct way to illustrate a bond to something irrelevant in a structural formula? 18 How can I draw metallocenes in ChemDraw? 5 From chemfig to .mol file/SMILES Hot Network Questions How...
If you don't have a SMILES string in hand, nor an other structure file openbabel can process to yield a SMILES string for you: ChemDraw's sample page allows to draw small molecules which can be exported in this representation (structure -> get smiles) by copy-paste. Kim, ...
but this led to problems with the internal chemistry model and electron accounting in both RDKit and Chemdraw. MarvinSketch supports a coordinate bond type and can read and write correctly formed v3000 Molfiles, ChemDraw version 15 had some issues with the V3000 format that I have informed Per...