Chem
J-GLOBAL ID：200907068688182810   Nikkaji number：J2.128.928K

2β,4α-Bis[3-methoxy-4-(2-nitrophenylsulfonyloxy)phenyl]cyclobutane-1α,3β-dicarboxylic acid dimethyl ester

2β,4α-ビス[3-メトキシ-4-(2-ニトロフェニルスルホニルオキシ)フェニル]シクロブタン-1α,3β-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： C34H30[N+]2O14[O-]2S2
Molecular formula furigana： C34-H30-N2-O16-S2
Molecular weight： 786.730
InChI： InChI=1S/C34H30N2O16S2/c1-47-25-17-19(13-15-23(25)51-53(43,44)27-11-7-5-9-21(27)35(39)40)29-31(33(37)49-3)30(32(29)34(38)50-4)20-14-16-24(26(18-20)48-2)52-54(45,46)28-12-8-6-10-22(28)36(41)42/h5-18,29-32H,1-4H3/t29-,30?,31-,32?/m0/s1
InChI key： YIJHMTYUCWWJGT-SVKZVXJBSA-N
SMILES： COC(=O)C1[C@H]([C@@H](C1c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1)C(=O)OC)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
Systematic name  (3)：
  • 2β,4α-ビス[3-メトキシ-4-(2-ニトロフェニルスルホニルオキシ)フェニル]シクロブタン-1α,3β-ジカルボン酸ジメチル
  • 1,3-ジメチル (1r,2r)-2,4-ビス({3-メトキシ-4-[(2-ニトロベンゼンスルホニル)オキシ]フェニル})シクロブタン-1,3-ジカルボキシラート
  • 1,3-dimethyl (1r,2r)-2,4-bis({3-methoxy-4-[(2-nitrobenzenesulfonyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate
Other name (1)：
  • 2β,4α-Bis[3-methoxy-4-(2-nitrophenylsulfonyloxy)phenyl]cyclobutane-1α,3β-dicarboxylic acid dimethyl ester
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