Generator of chemical formulas

[Sensei]

Hello!

 

Do you know some application for generating chemical formulas?

 

I mean something like- enter quantities of atoms, and program should show the all *) existing and plausible chemical formulas possible to make from them.

 

f.e.

 

If I enter C=1,O=2,

it will show CO2 (O=C=O),

 

If I enter C=3,H=8,O=1,

it will show CH3-HCOH-CH3

but also

C3H7OH

 

*) in reasonable amount..

Edited October 23, 2013 by Sensei

[John Cuthber]

Do you know how many isomers you are talking about?

http://en.wikipedia.org/wiki/List_of_straight-chain_alkanes

The number of, for example, alcohols is much bigger than the number of isomers of the corresponding alkanes

[Enthalpy]

This has been a research topic some decades ago. Programmes exist, alas.

 

I'm convinced that these programmes have created the infamous websites that contain one page per compound, will all possible names, and whose properties are only estimates without any warning sign.

[Borek]

Go to chemspider and search for the formula - this yields list of a known compounds, not every possible one (whether it exists or not). And some compounds that look OK on paper don't exist in reality.