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Substance Name: RS 93522-004 Bis(3,5-dinitrobenzoic acid ester)
RN: 119708-12-2
InChIKey: BDTUQGASXCAGJJ-ZLHGTEGGSA-N

Note

  • This derivative separates the diastereomers of RS 93522-004.

Molecular Weight

  • 914.7426
 
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Names and Synonyms

Name of Substance

  • RS 93522-004 Bis(3,5-dinitrobenzoic acid ester)

Synonyms

  • RS 93522-004 Bdba
  • RS-93522-004 Bis(3,5-dinitrobenzoate)

Registry Numbers

CAS Registry Number

  • 119708-12-2

System Generated Number

  • 0119708122

Structure Descriptors

InChI

1S/C41H34N6O19/c1-22-35(40(50)62-3)37(25-5-4-6-28(13-25)43(52)53)36(23(2)42-22)41(51)63-12-11-24-7-9-33(10-8-24)64-20-34(66-39(49)27-16-31(46(58)59)19-32(17-27)47(60)61)21-65-38(48)26-14-29(44(54)55)18-30(15-26)45(56)57/h4-10,13-19,34,37,42H,11-12,20-21H2,1-3H3/t34-,37-/m1/s1

InChIKey

BDTUQGASXCAGJJ-ZLHGTEGGSA-N

Smiles

CC1=C([C@H](C(=C(N1)C)C(=O)OCCc2ccc(cc2)OC[C@H](COC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])c5cccc(c5)[N+](=O)[O-])C(=O)OC