Chem
J-GLOBAL ID：200907002771963598   Nikkaji number：J1.805.704B

3,5-Dinitrobenzoic acid 2α-(2-naphthyloxy)-4β-methylcyclohexane-1β-yl ester

3,5-ジニトロ安息香酸2α-(2-ナフチルオキシ)-4β-メチルシクロヘキサン-1β-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： C24H22[N+]2O5[O-]2
Molecular formula furigana： C24-H22-N2-O7
Molecular weight： 450.447
InChI： InChI=1S/C24H22N2O7/c1-15-6-9-22(23(10-15)32-21-8-7-16-4-2-3-5-17(16)13-21)33-24(27)18-11-19(25(28)29)14-20(12-18)26(30)31/h2-5,7-8,11-15,22-23H,6,9-10H2,1H3/t15-,22+,23+/m0/s1
InChI key： RUHUWEBCOCFSIO-WADWEFIESA-N
SMILES： C[C@H]1CC[C@@H](OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])[C@@H](C1)Oc1ccc2ccccc2c1
Systematic name  (3)：
  • 3,5-ジニトロ安息香酸2α-(2-ナフチルオキシ)-4β-メチルシクロヘキサン-1β-イル
  • (1R,2R,4S)-4-メチル-2-(ナフタレン-2-イルオキシ)シクロヘキシル 3,5-ジニトロベンゾアート
  • (1R,2R,4S)-4-methyl-2-(naphthalen-2-yloxy)cyclohexyl 3,5-dinitrobenzoate
Other name (1)：
  • 3,5-Dinitrobenzoic acid 2α-(2-naphthyloxy)-4β-methylcyclohexane-1β-yl ester
Thsaurus map：
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