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Which structure is correct according to its name?

  1. Sep 2, 2009 #1


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    A chemical has a name of Bis(2-ethylhexyl) 1,6-hexan-1,6-diylbiscarbamate, I wonder which structure is correct (sorry it seems like I can only paste smile strings, You can see the structures by depicting them on http://www.daylight.com/daycgi_tutorials/depict.cgi): [Broken]



    Thanks a lot!
    Last edited by a moderator: May 4, 2017
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  3. Sep 5, 2009 #2


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    I can't follow your link and I definitely can't make out your notation so, I'll try to answer it without referring to your 2 choices.

    It is a bis(2-ethylhexyl) carbamate compound. That part structure is a urethane with two ethylhexyl groups attached to the nitrogen of the urethane.

    It is also a bis-carbamate, so there are two of these bis(2-ethylhexyl)-substituted urethanes in the compound. They are separated by an n-hexane chain.

    Soooo... if I were to attempt your notation, I would say it was:


    which isn't one of your choices (I think).

    Good luck with it.
  4. Sep 8, 2009 #3


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    Thank you very much for your help!

    I couldn't retrieve the structure for (CC(CC)CCCC)2[\sub]NC(=O)O(CCCCCC)OC(=O)N(CC(CC)CCCC)2[\sub], is this a smile string? Could you please let me know how I can get the structure?

    I kind of understand what you mean, just want to double check with the structure to make sure my understanding is correct.
  5. Sep 9, 2009 #4


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    It isn't a smile string. It is my attempt to copy what I believed to be your nomenclature.

    Note: Where you see "(CC(CC)CCCC)2NC(C=O)..." you should replace with "(CC(CC)CCCC)2NC(C=O)..."

    edit: Hmmmm.... now the subscript is working!

    Here's the SMILES code:

    Last edited: Sep 9, 2009
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