Chem
J-GLOBAL ID:200907048699301577   Nikkaji number:J575.412G

(1S,4S,7R,8R)-3-(2,2-Dimethylpropoxy)-6-methyl-N-phenyl-2-oxa-3-phosphabicyclo[2.2.2]oct-5-ene-7,8-dicarbimide 3-sulfide

(1S,4S,7R,8R)-3-(2,2-ジメチルプロポキシ)-6-メチル-N-フェニル-2-オキサ-3-ホスファビシクロ[2.2.2]オクタ-5-エン-7,8-ジカルボイミド3-スルフィド
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: C20H24NO4[P+][S-]
Molecular formula furigana: C20-H24-N-O4-P-S
Molecular weight: 405.450
InChI: InChI=1S/C20H24NO4PS/c1-12-10-14-15-16(17(12)25-26(14,27)24-11-20(2,3)4)19(23)21(18(15)22)13-8-6-5-7-9-13/h5-10,14-17H,11H2,1-4H3/t14-,15+,16+,17+,26?/m0/s1
InChI key: PKEFATWKYFDUAE-VWLKFHQLSA-N
SMILES: CC1=C[C@H]2[C@@H]3[C@H]([C@@H]1O[P+]2([S-])OCC(C)(C)C)C(=O)N(C3=O)c1ccccc1
Systematic name  (3):
  • (1S,4S,7R,8R)-3-(2,2-ジメチルプロポキシ)-6-メチル-N-フェニル-2-オキサ-3-ホスファビシクロ[2.2.2]オクタ-5-エン-7,8-ジカルボイミド3-スルフィド
  • [(1S,2R,6R,7S)-9-(2,2-ジメチルプロポキシ)-11-メチル-3,5-ジオキソ-4-フェニル-8-オキサ-4-アザ-9-ホスファトリシクロ[5.2.2.02,6]ウンデカ-10-エン-9-イウム-9-イル]スルファニド
  • [(1S,2R,6R,7S)-9-(2,2-dimethylpropoxy)-11-methyl-3,5-dioxo-4-phenyl-8-oxa-4-aza-9-phosphatricyclo[5.2.2.02,6]undec-10-en-9-ium-9-yl]sulfanide
Other name (1):
  • (1S,4S,7R,8R)-3-(2,2-Dimethylpropoxy)-6-methyl-N-phenyl-2-oxa-3-phosphabicyclo[2.2.2]oct-5-ene-7,8-dicarbimide 3-sulfide
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