How do I check that the InChI represents my compound?
To better understand what InChI does it is strongly suggested that you run the Win32 GUI application wInChI-1.exe against your test structures because it displays: • input structures as InChI understands them, with all H and charges; • their initial numberings; • canonical numberings, equivalence, tautomeric groups; • stereo parities; • bond changes (these cannot be observed in any other way but in wInChI or under a debugger); You may try wInChI under WINE — we have a report about a success in running wInChI-1.exe under WINE build 20050524 running on Mandrake 10.1.
