InChI: open-source chemical structure representation algorithm

Extended Stereochemistry

Extended Stereochemistry

Working Group Chair:  Andrey Yerin

Working group:

Description

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.