Version 2023 of Name improves naming of coordination structures, allows users to indicate polyhedral configurations, and includes new principles of enclosing of simple substituents without locants. Read below for details, and contact us for help upgrading your software.
Updated Rules for Substituents without Locants
Name’s principles for enclosing (i.e., adding brackets around) substituents without locants has been updated according to recent changes in IUPAC recommendations. All substituents, beyond the first without locants, will now be enclosed.
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| Previously: | tert-butyl(ethoxy)dimethylsilane | cyclohexyl(hydroxy)phenylacetic acid |
| Now: | tert-butyl(ethoxy)di(methyl)silane | cyclohexyl(hydroxy)(phenyl)acetic acid |
Better Name Generation for Coordinated Structures
Name generation for coordinated structures better follows IUPAC inorganic nomenclature recommendations.
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| Previously: | (aniline)(ethane-1,2-diolato-κO1)(methoxymethane) (triphenylphosphane)nickel(1+) |
| Now: | (aniline-κN)(2-hydroxyethanolato-κO)[(methoxy-κO)methane] (triphenylphosphane-κP)nickel(1+) |
Polyhedral Configuration Naming
You can now generate names that include stereoconfiguration for square planar, tetrahedral, trigonal pyramidal, and octahedral configuration. Recognition is based on the configuration defined with stereobonds.
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| (SP-4-3)-chloridomethylbis(trimethylphosphane-κP)palladium |
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| (OC-6-1”1′-A)-tris(N1,N1,N2,N2-tetramethylethane-1,2-diamine-κ2N,N‘)ruthenium(2+) |
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| (2TBPY-5-12,3S)-2-methoxy-3,4,4-trimethyl-2,2-diphenyl-1,2λ5-oxaphosphetane |
Examples of names that include the polyhedral configuration.
Name also includes ChemSketch. We’ve improved features for this as well:
Enhanced Number Formatting
You can now use atom numbers that include italic, subscript, superscripts, or Greek characters.
N2-ethyl-N6-methyl-L-lysine
Distinguish Coordination Bonds from Stereobonds for Inorganics and Organometallics
Coordination bonds are now dotted bonds to distinguish them from the dashed bond that indicates down stereochemistry.
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In the new structure, dotted lines indicate coordination and dashed lines indicate a stereochemical bond.