Overview
Structures can be quickly and accurately named using either traditional names or International Union of Pure and Applied Chemistry (IUPAC) nomenclature recommendations (2004).
Calculations can be run singly from the Marvin editor/viewer or in batch through the command line (cxcalc), ChemAxon’s Chemical Terms or via Instant JChem.
Learn more about structure to name generation.
Learn more about name to structure generation.
This project was partially funded by the Hungarian National Office for Research and Technology under the contract number OMFB-00007/2006.
Related forum threads
License Issue (March 1st, 04:02pm)
“Dear,
For this operation you need a valid license. If you are interested in purchasing an annual or perpetual license for Name to Structure we are glad to send you a quotation.
We should know the number of users i.e. the people who would acc...”
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molconvert name error (January 28th, 02:53pm)
“Hi,
I want to generate an iupac name for aromatic fused molecules...
Try to sketch the Kekulé representation for the "aromatic fused molecules" by hand. You will see that this is not possible.
Smiles representation of your fused molecule...”
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IUPAC Name questions (January 28th, 01:14pm)
“Dear Paul,
Thanks for your update. For case 1, this is indeed a solution. Technically, even 'identical' structures can be represented in several ways internally, possibly leading to different but both valid names. The 'preferred names' specificat...”
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Convert name to structure (August 26th, 06:21pm)
“A name file is a plain text file, with one name per line. I attach a very simple example. Note that for temporary technical reasons, the file is called example.txt, which also works since marvin can automatically detect format, but you can rename ...”
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