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Substance Name: NKI 9995
RN: 111076-90-5
InChIKey: OVNOXFDOVXWGOY-UHFFFAOYSA-M

Molecular Weight

  • 463.058
 
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Names and Synonyms

Results Name

  • NKI 9995

Synonym

  • NKI 9995

Systematic Name

  • 1H-Imidazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-3-(((1-oxododecyl)oxy)methyl)-, chloride

Registry Numbers

CAS Registry Number

  • 111076-90-5

System Generated Number

  • 0111076905

Structure Descriptors

InChI

1S/C26H39N2O3.ClH/c1-4-5-6-7-8-9-10-11-15-18-24(29)31-22-27-19-20-28(21-27)26(2,3)25(30)23-16-13-12-14-17-23;/h12-14,16-17,19-21H,4-11,15,18,22H2,1-3H3;1H/q+1;/p-1

InChIKey

OVNOXFDOVXWGOY-UHFFFAOYSA-M

Smiles

c1[n+](ccn1C(C(c1ccccc1)=O)(C)C)COC(CCCCCCCCCCC)=O.[ClH-]