N,N,N-Tripropyl-1-propanaminium 5-carboxyisophthalate - urea hydrate (2:1:2:5)

More details:

• Systematic name

  N,N,N-Tripropyl-1-propanaminium 5-carboxyisophthalate - urea hydrate (2:1:2:5)

• SMILES

  CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC.c1c(cc(cc1C(=O)[O-])C(=O)[O-])C(=O)O.C(=N)(N)O.C(=N)(N)O.O.O.O.O.O

• Std. InChi

  InChI=1S/2C12H28N.C9H6O6.2CH4N2O.5H2O/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;2*2-1(3)4;;;;;/h2*5-12H2,1-4H3;1-3H,(H,10,11)(H,12,13)(H,14,15);2*(H4,2,3,4);5*1H2/q2*+1;;;;;;;;/p-2

• Std. InChIKey

  HBLCMJJISQSJBL-UHFFFAOYSA-L

• Cite this record

  CSID:21140623, http://www.chemspider.com/Chemical-Structure.21140623.html (accessed 19:24, Jul 1, 2024)