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Substance Name: 2,4,6-Trinitrophenylglutathione
RN: 86386-47-2
InChIKey: FFQZVOHBBONILO-AJNGGQMLSA-N

Molecular Weight

  • 823.724
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Trinitrophenylglutathione

Synonyms

  • Tnp-glutathione
  • Tnp-gsh

Registry Numbers

CAS Registry Number

  • 86386-47-2

System Generated Number

  • 0086386472

Structure Descriptors

InChI

1S/C26H33N9O18S2/c27-12(25(44)45)1-3-18(36)30-14(23(42)29-7-20(38)39)9-54-55-10-15(31-19(37)4-2-13(28)26(46)47)24(43)32(8-21(40)41)22-16(34(50)51)5-11(33(48)49)6-17(22)35(52)53/h5-6,12-15H,1-4,7-10,27-28H2,(H,29,42)(H,30,36)(H,31,37)(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t12-,13-,14-,15-/m0/s1

InChIKey

FFQZVOHBBONILO-AJNGGQMLSA-N

Smiles

O=C(N(CC(O)=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[C@H](CSSC[C@H](NC(CC[C@H](N)C(O)=O)=O)C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O