Chem
J-GLOBAL ID：200907062783850457   Nikkaji number：J2.233.872B

(2R,4R)-1,4-Bis(3,5-dinitrobenzoyloxy)-2-ethylhexane

(2R,4R)-1,4-ビス(3,5-ジニトロベンゾイルオキシ)-2-エチルヘキサン
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： C22H22[N+]4O8[O-]4
Molecular formula furigana： C22-H22-N4-O12
Molecular weight： 534.434
InChI： InChI=1S/C22H22N4O12/c1-3-13(12-37-21(27)14-6-16(23(29)30)10-17(7-14)24(31)32)5-20(4-2)38-22(28)15-8-18(25(33)34)11-19(9-15)26(35)36/h6-11,13,20H,3-5,12H2,1-2H3/t13-,20-/m1/s1
InChI key： XLMLDQUCBFOULX-ZUOKHONESA-N
SMILES： CC[C@@H](COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C[C@@H](CC)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • (2R,4R)-1,4-ビス(3,5-ジニトロベンゾイルオキシ)-2-エチルヘキサン
  • (2R,4R)-4-(3,5-ジニトロベンゾイルオキシ)-2-エチルヘキシル 3,5-ジニトロベンゾアート
  • (2R,4R)-4-(3,5-dinitrobenzoyloxy)-2-ethylhexyl 3,5-dinitrobenzoate
Other name (1)：
  • (2R,4R)-1,4-Bis(3,5-dinitrobenzoyloxy)-2-ethylhexane
Thsaurus map：
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