A user asked:
I am an Instant JChem user. I have a list of SMILES codes which I would
like to convert to their corresponding chemical names(IUPAC Name).
Could you please advise how could that be done in batch? Do I need
another software to complete the task?
You can do this in Instant JChem quite easily.
You do need a license for the Naming plugin to be able to do this, so make sure you have this first.
The steps you need to take are:
1. create a file with your smiles. One smiles per line.
2. Import this file into an Instant JChem database using the standard file import process:
3. Add a chemical terms field, and choose 'IUPAC Name' from the list of favourites
A new column will be added that contains the name.
4. Export the data to file
(or maybe use copy and paste etc.) to save your names.