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Substance Name: 1,6-Hexanediol 1,6-bis(3,5-dinitrobenzoate)
RN: 99871-46-2
UNII: 422B4054PL
InChIKey: FYLKIWKJLNZPNS-UHFFFAOYSA-N

Molecular Formula

  • C20-H18-N4-O12

Molecular Weight

  • 506.3782
 
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Names and Synonyms

Name of Substance

  • 1,6-Hexanediol 1,6-bis(3,5-dinitrobenzoate)

Synonyms

  • 1,6-Hexanediol 1,6-bis(3,5-dinitrobenzoate)
  • 1,6-Hexanediol, 1,6-bis(3,5-dinitrobenzoate)
  • Hexamethylene glycol S(3,5-dinitrobenzoate)
  • Hexamethylene glycol S(3,5-dinitrobenzoate) [MI]
  • UNII-422B4054PL

Registry Numbers

CAS Registry Number

  • 99871-46-2

FDA UNII

  • 422B4054PL

System Generated Number

  • 0099871462

Structure Descriptors

InChI

1S/C20H18N4O12/c25-19(13-7-15(21(27)28)11-16(8-13)22(29)30)35-5-3-1-2-4-6-36-20(26)14-9-17(23(31)32)12-18(10-14)24(33)34/h7-12H,1-6H2

InChIKey

FYLKIWKJLNZPNS-UHFFFAOYSA-N

Smiles

c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCCCOC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-]