trans-Decaline cis-decaline name ignored

Hi,


the stereoisomerplugin creates trans-decaline andcis-decaline


C1CC[C@@H]2CCCC[C@@H]2C1


C1CC[C@H]2CCCC[C@@H]2C1





However naming ignores them and just writes decahydronaphthalene.


Correct name would be probably Bicyclo[4.4.0]decane (with cis and trans option)


Tobias

Hi Tobias,





my colleague who can answer this is on holiday until 27 August. He will answer to you as soon as he is back.





Zsolt

Hi Tobias,





According to IUPAC, the desired name for those structures is (4as,8as)-decahydronaphthalene and (4ar,8ar)-decahydronaphthalene (cis- and trans-decahydronaphthalene are also acceptable).





1. the stereo information is missing from the name because r and s descriptors are not supported in the whole of marvin. Such support is currently planned for version 5.2, thanks for reminding us it is indeed needed.





2. the bicyclo[4.4.0]decane name would be correct, but decahydronaphthalene seems actually preferred, do you have objections about that?





Thanks for your report!





Daniel

Minor correction: trans is (4ar,8ar), and cis is (4ar,8as). Cis has a plane of symmetry that relates the two methine H atoms, so they must have opposite configurations. In trans, the two methine H atoms are related by an axis of symmetry, so they must have the same configuration.