Naming function outperforms mview (anecdote)

User 677b9c22ff

01-08-2007 08:02:38

Hi,


I am always surprised how well the naming works.


For example mview can not generate a structure from


"[C]=1=[C]2[C](=[C]=1)[C]34[C]25[C]67[C]8=[C]=[C]=[C]8[C]36[C]59[C]%10%11[C]%12=[C]%13[C]%10=[C]%12[C]9%13[C]47%11"





However if I ask the naming function it will spit out a name like a brave dog.





cxcalc name "[C]=1=[C]2[C](=[C]=1)[C]34[C]25[C]67[C]8=[C]=[C]=[C]8[C]36[C]59[C]%10%11[C]%12=[C]%13[C]%10=[C]%12[C]9%13[C]47%11"





id Preferred IUPAC Name


1 tridecacyclo[10.8.0.0^{1,6}.0^{2,5}.0^{6,13}.0^{7,12}.0^{7,20}.0^{8,11}.0^{13,19}.0^{14,17}.0^{14,20}.0^{15,18}.0^{16,19}]icosa-2,3,4,8,9,10,15,17-octaene





As I can not see the molecule I can not proof if the structure is correct :-) Mhh. I guess so...


Tobias