Chem
J-GLOBAL ID：200907043168669896   Nikkaji number：J2.012.305B

3,5-Di-tert-butylbenzenesulfonic acid (9S)-cinchonan-9-yl ester

3,5-ジ-tert-ブチルベンゼンスルホン酸(9S)-シンコナン-9-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： C33H42N2O3S
Molecular formula furigana： C33-H42-N2-O3-S
Molecular weight： 546.770
InChI： InChI=1S/C33H42N2O3S/c1-8-22-21-35-16-14-23(22)17-30(35)31(28-13-15-34-29-12-10-9-11-27(28)29)38-39(36,37)26-19-24(32(2,3)4)18-25(20-26)33(5,6)7/h8-13,15,18-20,22-23,30-31H,1,14,16-17,21H2,2-7H3/t22-,23-,30+,31-/m0/s1
InChI key： GLSLDWUUVYVZCI-HKWKKJRXSA-N
SMILES： CC(C)(C)c1cc(cc(c1)S(=O)(=O)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12)C(C)(C)C
Systematic name  (3)：
  • 3,5-ジ-tert-ブチルベンゼンスルホン酸(9S)-シンコナン-9-イル
  • (S)-[(2R,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](キノリン-4-イル)メチル 3,5-ジ-tert-ブチルベンゼン-1-スルホナート
  • (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methyl 3,5-di-tert-butylbenzene-1-sulfonate
Other name (1)：
  • 3,5-Di-tert-butylbenzenesulfonic acid (9S)-cinchonan-9-yl ester
Thsaurus map：
Thesaurus Map

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