ChemAxon’s naming toolkit capabilities allow you to generate chemical structures from IUPAC, trivial, drug, CAS names and from CAS Registry Numbers®.
IUPAC names, CAS names and generally systematic names
Common names (e.g. Toluene)
Drug names (e.g. Paracetamol, Doliprane)
Acronyms (e.g. ATP for "Adenosine Triphosphate")
CAS Registry Numbers® (Note, this feature uses a Web service, read the notice about CAS Registry Numbers® for more information)
For systematic names:
Retained/traditional names for ring systems with and without heteroatoms
Spiro ring systems
All cases of von Baeyer nomenclature for bridged ring systems
Fused ring systems
Ethers, esters, oximes, ...
Common characteristic groups
Compounds with one radical
Unlimited number of atoms and rings
All atom types
Substitutive and multiplicative nomenclatures
Molecules containing multiple radicals (e.g.
ethane-1,2-diyl) are not supported yet.
There are different ways how you can import a name directly into MarvinSketch and convert it to a chemical structure.
Open a text file (.name) containing IUPAC names (one per row). MarvinView will open all the structures. Opening the same file in MarvinSketch, the program will ask you to select one structure (by its index number).
As a commandline tool, you can use MolConverter for name to structure conversion. Examples:
Converting "test.name" name file to MOL file:
molconvert mol test.name -o test.mol
Converting "test.name" name file to "test.smi" SMILES file which also contains the name of the structures:
molconvert smiles:n test.name>test.smi
The behavior of name to structure can be controlled using format options.
Document to Structure is used to find names in documents and free text