From owner-chemistry@ccl.net Thu Jul 5 15:25:01 2007 From: "Greg Warren greg^^^eyesopen.com" To: CCL Subject: CCL: Converting structures to IUPAC names Message-Id: <-34669-070705132350-23088-bCIx+G3ltLy1bhp6NBoEIA]*[server.ccl.net> X-Original-From: Greg Warren Content-Type: multipart/alternative; boundary="------------030104030601090709070601" Date: Thu, 05 Jul 2007 10:52:08 -0600 MIME-Version: 1.0 Sent to CCL by: Greg Warren [greg(-)eyesopen.com] This is a multi-part message in MIME format. --------------030104030601090709070601 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit One among several options is Lexichem (structure to IUPAC name) and its complement Ogham (name to structure) from OpenEye Scientific Software. http://www.eyesopen.com http://www.eyesopen.com/products/toolkits/lexichem.html http://www.eyesopen.com/products/toolkits/ogham.html andras.borosy/./givaudan.com wrote: > > Dear Colleagues, > > Does anyone know an application which is capable to convert structures > to IUPAC names of a larger database? > > Best regards, > > Dr. András Péter Borosy > Scientific Modelling Expert > Fragrance Research > Givaudan Schweiz AG - Ueberlandstrasse 138 - CH-8600 - Dübendorf > - Switzerland > T:+41-44-824 2164 - F:+41-44-8242926 - http://www.givaudan.com -- ======================================== Gregory Warren, PhD OpenEye Scientific Software, Inc 9 Bisbee Court, Suite D Santa Fe, NM 87508 (505) 473-7385 ext 50 mailto:greg]![eyesopen.com ======================================== --------------030104030601090709070601 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit One among several options is Lexichem (structure to IUPAC name) and its complement Ogham (name to structure) from OpenEye Scientific Software.

http://www.eyesopen.com
http://www.eyesopen.com/products/toolkits/lexichem.html
http://www.eyesopen.com/products/toolkits/ogham.html

andras.borosy/./givaudan.com wrote:

Dear Colleagues,

Does anyone know an application which is capable to convert structures to IUPAC names of a larger database?

Best regards,

Dr. András Péter Borosy
Scientific Modelling Expert
Fragrance Research
Givaudan Schweiz AG - Ueberlandstrasse 138 - CH-8600 - Dübendorf - Switzerland
T:+41-44-824 2164 - F:+41-44-8242926 - http://www.givaudan.com

-- 
========================================
Gregory Warren, PhD
OpenEye Scientific Software, Inc
9 Bisbee Court, Suite D
Santa Fe, NM 87508
(505) 473-7385 ext 50
mailto:greg]![eyesopen.com
========================================

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