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Substance Name: (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine
RN: 74792-78-2
InChIKey: IKCKTZDNJROBPG-RUQMBEDUSA-N

Molecular Weight

  • 500.315
 
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Names and Synonyms

Name of Substance

  • (2',3')O-(2,4,6-trinitrocyclohexadienylidine)adenosine

Synonym

  • Tnp-ado

Systematic Name

  • Adenosine, 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-), sodium

Registry Numbers

CAS Registry Number

  • 74792-78-2

System Generated Number

  • 0074792782

Structure Descriptors

InChI

1S/C16H13N8O10.Na/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(3-25)32-15)33-16(34-12)8(23(28)29)1-6(22(26)27)2-9(16)24(30)31;/h1-2,4-5,7-8,11-12,15H,3H2,(H2,17,18,19);/q-1;+1/t7-,8?,11-,12-,15-,16?;/m1./s1

InChIKey

IKCKTZDNJROBPG-RUQMBEDUSA-N

Smiles

[O-]C[C@@H]1[C@H]2O[C@@]3(C(=CC(=C[C@@H]3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H](O1)n1cnc2c(N)ncnc12.[Na+]