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Name to structure - Triple bonds are not parsed [message #149]

Thu, 18 February 2016 12:38

MaxPeters
Messages: 1
Registered: February 2016

Junior Member

Entering the SMILES for HCN:
C#N
in the web form results in
CH4.
The same is true for organic nitriles, they either result in terminal groups or parsing errors.

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Re: Name to structure - Triple bonds are not parsed [message #151 is a reply to message #149]

Sun, 21 February 2016 13:24

thomas
Messages: 745
Registered: June 2014

Senior Member

Thank you for reporting this. I found and fixed the bug. The # sign was not properly encoded in the URL sent to the server causing the smiles to to be truncated at the #-position.

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