Hi Sergio,
there may be random entries in the Resolver database behind
http://cactus.nci.nih.gov/chemical/structure but definitely
nothing systematic.
Markus
On Wed, 28 Aug 2013 07:54:26 -0400, Sergio Martinez Cuesta <sermar...@gmail.com> wrote:
Thanks Greg,I agree, it certainly works for molecules, however I am testing whether cactus is able to provide names to molecular fragments as well. Things like methyl phosphinite (COP) are named after that.See:Do you have any hints on systematically naming molecular fragments?On 28 August 2013 05:53, Greg Landrum <greg.land...@gmail.com> wrote:
On Tue, Aug 27, 2013 at 10:32 PM, Sergio Martinez Cuesta <sermar...@gmail.com> wrote:
Oc(:[nH2]):[nH2] does not seem to be in the databasehttp://cactus.nci.nih.gov/chemical/structure/Oc(:[nH2]):[nH2]/iupac_name
molcovert does not generate a name either.That's not actually a stable molecule. it is, at best, a piece of a molecule. OC(N)N works fine with the NCI lookup.What molecule are you trying to name?-greg
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