I’ve been working late nights for some time now on transferring a relatively large catalog of chemicals (>1200) from an Excel database into a webpage for a client. I have relied heavily on ChemDraw for Excel. Nomenclature is, as always, a bitch. When working with these quantities, you cannot manually go in and fix details; you need an automated process that just works. My solution has depended much on ‘name to structure’ and ‘structure to name’ in the aforementioned programs.

Now, here’s the oddball of the day. If you draw this structure in ChemDraw, and do ‘structure to name’

it, as you can see, spits out 8,9-dibromo-2,3-dihydro-[1,4]dioxino[2,3-b]dibenzo[b,e][1,4]dioxine

If you then take that beast and reverse it, in other words go from ‘name to structure’, the computer brings you this beauty queen (what is it even?)

Life is never easy.

(If you want me to hook you up with a kilo or so of this, search for “JH00545” over here, in this catalog curiously named something completely different.)

 

2 Responses to I vote to ban nomenclature—once and for all

  1. Maks Fomich says:

    MarvinSketch worked for me when ChemDraw failed to name complex structures

  2. Steen says:

    I agree with Maks, MarvinSketch usually works for me with complex structures. Ran it through Marvin and I got 8,9-dibromo-2,3-dihydro-1,4,6,11-tetraoxatetracene

Leave a Reply

Your email address will not be published. Required fields are marked *