Comments (2)
Original comment by guillaume godin (Bitbucket: guillaumegodin, ).
I try removing all the ' & '' and it works:
acetic acid 2-methyl-2-(1,2,4-trimethylpent-2-enyloxy)propyl ester
CC(COC(C)=O)(C)OC(C(=CC(C)C)C)C
Is it possible to accept those ' & '' values in the input name ?
Guillaume GODIN
from opsin.
Original comment by Daniel Lowe (Bitbucket: dan2097, GitHub: dan2097).
Hi Guillaume,
As you correctly spotted OPSIN does not like the additional primes which as you can see from your simplified name are redundant.
The logic behind the primes is somewhat like http://www.acdlabs.com/iupac/nomenclature/79/r79_36.htm Rule 2.5b (which OPSIN does not currently implement, mainly as names constructed in this manner are very rare, and this rule does not appear in more recent IUPAC recommendations)... but the combination of primes to indicate level of branching and brackets is idiosyncratic.
Do you where the name came from? Some name to structure algorithms, like ChemDraw's are quite sloppy about primes (as long as all locants referring to the same group have the same number of primes) and will accept the name, but unless the issue is common I prefer to be strict.
from opsin.
Related Issues (20)
- forward slashes cause problems HOT 2
- cyclo[c.c.c.c.c.c.e.e.e.e.e.e]dodecakisbenzene aka infinitene fails HOT 1
- Make space after semi-colon optional HOT 3
- Strange interpretation of the dithiazolium compound HOT 2
- "Kilian" returns C1000H2002 HOT 2
- API base URL should redirect to instructions HOT 1
- New version of Opsin (2.8.0) is not supporting Organo-metallic compounds Such as Ferrocene
- New version of Opsin (2.8.0) is not creating Mol files for Chemical formulae and abbreviated names
- New version of Opsin is not supporting for some sugars and sugar based compounds.
- New version of Opsin is not supporting for some drug names
- Mol file created by new Opsin version (2.8.0) - giving structure with incorrect configuration
- New version of Opsin (2.8.0) is not creating correct Mol file / giving error for the compounds with isotopes HOT 1
- New version of Opsin (2.8.0) is not providing Mol file / sometimes giving incorrect Mol file / giving error for the dicarboximido based compounds
- New version of Opsin (2.8.0) is not supporting for some glyceric acid derivatives
- For some compound names, new version of Opsin is giving response - Syntax error
- S-3-bromophenyl-2-chloro-2-oxoethanethioate ChemDraw autocorrects to S-(3-bromophenyl) 2-chloro-2-oxoethanethioate
- Inquiry about OPSIN's Validation of IUPAC Names HOT 4
- O-methyl phenylphosphonothioic chloride - expected methyl ester, got trivalent chlorine HOT 4
- Unable to figure out the IUPAC name using OPSIN HOT 4
- OPSIN generates incorrect structure for cycloprop-2-en-1-ylidenethenylidene HOT 1
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from opsin.