Chem
J-GLOBAL ID:200907027713135629   Nikkaji number:J1.192.921D

Bis[4-(hexyloxy)benzoic acid]2,2′,6,6′-tetramethyl-3,3′-dinitrobiphenyl-4,4′-diyl ester

ビス[4-(ヘキシルオキシ)安息香酸]2,2′,6,6′-テトラメチル-3,3′-ジニトロビフェニル-4,4′-ジイル
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: C42H48[N+]2O8[O-]2
Molecular formula furigana: C42-H48-N2-O10
Molecular weight: 740.850
InChI: InChI=1S/C42H48N2O10/c1-7-9-11-13-23-51-33-19-15-31(16-20-33)41(45)53-35-25-27(3)37(29(5)39(35)43(47)48)38-28(4)26-36(40(30(38)6)44(49)50)54-42(46)32-17-21-34(22-18-32)52-24-14-12-10-8-2/h15-22,25-26H,7-14,23-24H2,1-6H3
InChI key: WMWAXSXXQCMHNA-UHFFFAOYSA-N
SMILES: CCCCCCOc1ccc(cc1)C(=O)Oc1cc(C)c(c(C)c1[N+](=O)[O-])c1c(C)cc(OC(=O)c2ccc(OCCCCCC)cc2)c(c1C)[N+](=O)[O-]
Systematic name  (3):
  • ビス[4-(ヘキシルオキシ)安息香酸]2,2′,6,6′-テトラメチル-3,3′-ジニトロビフェニル-4,4′-ジイル
  • 4'-[4-(ヘキシルオキシ)ベンゾイルオキシ]-2,2',6,6'-テトラメチル-3,3'-ジニトロ-[1,1'-ビフェニル]-4-イル 4-(ヘキシルオキシ)ベンゾアート
  • 4'-[4-(hexyloxy)benzoyloxy]-2,2',6,6'-tetramethyl-3,3'-dinitro-[1,1'-biphenyl]-4-yl 4-(hexyloxy)benzoate
Other name (1):
  • Bis[4-(hexyloxy)benzoic acid]2,2′,6,6′-tetramethyl-3,3′-dinitrobiphenyl-4,4′-diyl ester
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