Chem
J-GLOBAL ID：200907087947273998
Nikkaji number：J1.046.077H
(3aS)-2-Tosyl-4β-chloro-4-methyl-7α-isopropenyloctahydro-2H-isoindole-1-one
(3aS)-2-トシル-4β-クロロ-4-メチル-7α-イソプロペニルオクタヒドロ-2H-イソインドール-1-オン
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
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
Molecular formula： C19H24ClNO3S
Molecular formula furigana： C19-H24-CL-N-O3-S
Molecular weight： 381.920
InChI：
InChI=1S/C19H24ClNO3S/c1-12(2)15-9-10-19(4,20)16-11-21(18(22)17(15)16)25(23,24)14-7-5-13(3)6-8-14/h5-8,15-17H,1,9-11H2,2-4H3/t15-,16-,17?,19+/m1/s1
InChI key：
DUUDEXFZIOWDGX-FJBGPRNJSA-N
SMILES：
CC(=C)[C@H]1CC[C@](C)(Cl)[C@@H]2CN(C(=O)C12)S(=O)(=O)c1ccc(C)cc1
Systematic name (3)：
- (3aS)-2-トシル-4β-クロロ-4-メチル-7α-イソプロペニルオクタヒドロ-2H-イソインドール-1-オン
- (3aS,4S,7S)-4-クロロ-4-メチル-2-(4-メチルベンゼンスルホニル)-7-(プロパ-1-エン-2-イル)-オクタヒドロ-1H-イソインドール-1-オン
- (3aS,4S,7S)-4-chloro-4-methyl-2-(4-methylbenzenesulfonyl)-7-(prop-1-en-2-yl)-octahydro-1H-isoindol-1-one
- (3aS)-2-Tosyl-4β-chloro-4-methyl-7α-isopropenyloctahydro-2H-isoindole-1-one
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