Extended Stereochemistry

Extended Stereochemistry

Working Group Chair:  Andrey Yerin

Working Group Members:  Andrey Yerin;  Gerd Blanke;  Burt Leland;  Jürgen Kammerer;  Clare Tovee;  Yulia Borodina;  Jane Frommer;  Nicki Davis; Per-Ola Norrby;  Jonathan M Goodman


The project is making gradual progress.

The following tasks have been already investigated with possible solutions for further considerations by the InChI Subcommittee and  InChI developers: 

1. Enhanced stereo marks; 

2. Atropisomers; 

3. Support of longer allenes 

4. Additional tetrahedral cases, including special case of stereo at spiro atoms (last part is  already implemented in InChI 1.06). 

The WG is expected to produce recommendations to resolve problems with recognition of configurations of carbohydrates  represented in Haworth and chair forms. 

Yulia Borodina

Jonathan Goodman

Professor of Chemistry at University of Cambridge

Andrey Yerin

software development