microswitch - 13-12-2006 at 16:52
I have a question: Where does one locate the IUPAC designation with a generic name of a molecule or substance? Also, where does one find a good SMILES
(Simplified molecular input line entry specification) site?
Does Daylight chemical information systems maintain the SMILES format officially?
http://www.daylight.com/
Baphomet - 13-12-2006 at 17:20
Check out ChemSketch at http://www.acdlabs.com. It's a freeware chemical modelling tool that allows you to drag-and-drop species to build larger molecules and output
IUPAC/SMILES/etc..
microswitch - 13-12-2006 at 20:06
Thanks for the info. I have been using Accelrys software for 3D modeling. I am installing ACD/ChemSketch now.
JohnWW - 16-12-2006 at 16:29
Try www.iupac.org - it should be on their site somewhere.