Chem
J-GLOBAL ID：200907076647797411   Nikkaji number：J488.474D

2,2′-Dinitro-6,6′-dimethyl-1,1′-biphenyl-4,4′-dicarboxylic acid dimethyl ester

2,2′-ジニトロ-6,6′-ジメチル-1,1′-ビフェニル-4,4′-ジカルボン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H16[N+]2O6[O-]2
Molecular formula furigana： C18-H16-N2-O8
Molecular weight： 388.332
InChI： InChI=1S/C18H16N2O8/c1-9-5-11(17(21)27-3)7-13(19(23)24)15(9)16-10(2)6-12(18(22)28-4)8-14(16)20(25)26/h5-8H,1-4H3
InChI key： RQMLZHYNZUFCBJ-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(C)c(c(c1)[N+](=O)[O-])c1c(C)cc(cc1[N+](=O)[O-])C(=O)OC
Systematic name  (3)：
  • 2,2′-ジニトロ-6,6′-ジメチル-1,1′-ビフェニル-4,4′-ジカルボン酸ジメチル
  • 4,4'-ジメチル 2,2'-ジメチル-6,6'-ジニトロ-[1,1'-ビフェニル]-4,4'-ジカルボキシラート
  • 4,4'-dimethyl 2,2'-dimethyl-6,6'-dinitro-[1,1'-biphenyl]-4,4'-dicarboxylate
Other name (1)：
  • 2,2′-Dinitro-6,6′-dimethyl-1,1′-biphenyl-4,4′-dicarboxylic acid dimethyl ester
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