Chem
J-GLOBAL ID：200907044773128062   Nikkaji number：J1.521.691C

[3,5β-Bis(methoxycarbonyl)-4α-(4-chlorophenyl)-4,5-dihydroisoxazole-2-ium]-2-olate

[3,5β-ビス(メトキシカルボニル)-4α-(4-クロロフェニル)-4,5-ジヒドロイソオキサゾール-2-イウム]-2-オラート
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： C13H12Cl[N+]O5[O-]
Molecular formula furigana： C13-H12-CL-N-O6
Molecular weight： 313.690
InChI： InChI=1S/C13H12ClNO6/c1-19-12(16)10-9(7-3-5-8(14)6-4-7)11(13(17)20-2)21-15(10)18/h3-6,9,11H,1-2H3/t9-,11-/m0/s1
InChI key： HVRFVRPDTOPLFM-ONGXEEELSA-N
SMILES： COC(=O)[C@H]1O[N+](=C([C@@H]1c1ccc(Cl)cc1)C(=O)OC)[O-]
Systematic name  (3)：
  • [3,5β-ビス(メトキシカルボニル)-4α-(4-クロロフェニル)-4,5-ジヒドロイソオキサゾール-2-イウム]-2-オラート
  • (4S,5S)-4-(4-クロロフェニル)-3,5-ビス(メトキシカルボニル)-4,5-ジヒドロ-1,2-オキサゾール-2-イウム-2-オラート
  • (4S,5S)-4-(4-chlorophenyl)-3,5-bis(methoxycarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-2-olate
Other name (1)：
  • [3,5β-Bis(methoxycarbonyl)-4α-(4-chlorophenyl)-4,5-dihydroisoxazole-2-ium]-2-olate
Thsaurus map：
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