Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-(3-(5-Cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene)-1-hexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile, ammonium salt
RN: 68612-95-3
InChIKey: NCIINKBTEAJJFH-OJJCFAEVSA-N

Molecular Formula

  • C29-H36-N4-O4.H3-N

Molecular Weight

  • 521.6581
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 271-910-5

Systematic Name

  • 5-(3-(5-Cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene)-1-hexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile, ammonium salt

Registry Numbers

CAS Registry Number

  • 68612-95-3

System Generated Number

  • 0068612953

Molecular Formulas

Molecular Formula

  • C29-H36-N4-O4.H3-N

Molecular Formula Fragments

  • C29-H36-N4-O4
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C29H36N4O4.H3N/c1-5-7-9-11-16-32-26(34)22(20(3)24(18-30)28(32)36)14-13-15-23-21(4)25(19-31)29(37)33(27(23)35)17-12-10-8-6-2;/h13-15,34H,5-12,16-17H2,1-4H3;1H3/b14-13+,23-15-;

InChIKey

NCIINKBTEAJJFH-OJJCFAEVSA-N

Smiles

CCCCCCn1c(c(c(c(c1=O)C#N)C)/C=C/C=C\2/C(=C(C(=O)N(C2=O)CCCCCC)C#N)C)[O-].[NH4+]