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Substance Name: Aurantia
RN: 33012-29-2
InChIKey: FNQHNKWHKUALED-UHFFFAOYSA-O

Molecular Formula

  • C12-H4-N7-O12.H4-N

Molecular Weight

  • 456.239
 
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Names and Synonyms

Results Name

  • Aurantia

Synonym

  • EINECS 251-344-5

Systematic Name

  • Ammonium 2,4,6-trinitrophenyl-N-(2,4,6-trinitrocyclohexa-2,5-dien-1-ylidene)amide

Registry Numbers

CAS Registry Number

  • 33012-29-2

System Generated Number

  • 0033012292

Molecular Formulas

Molecular Formula

  • C12-H4-N7-O12.H4-N

Molecular Formula Fragments

  • C12-H4-N7-O12
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C12H4N7O12.H3N/c13-11-8(18(28)29)3-7(17(26)27)10(12(11)19(30)31)9-5(15(22)23)1-4(14(20)21)2-6(9)16(24)25;/h1-3,7H;1H3/q-1;/p+1

InChIKey

FNQHNKWHKUALED-UHFFFAOYSA-O

Smiles

[NH4+].[N-]=C1C(=C([C@@H](C=C1[N+](=O)[O-])[N+](=O)[O-])c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]