Chem
J-GLOBAL ID：200907015914736088   Nikkaji number：J952.180A

[2-(2-Piperidino-4,5-dimethyl-1,3-dithiol-2-yl)-1,3-benzodithiol-2-yl]phosphonic acid diethyl ester

[2-(2-ピペリジノ-4,5-ジメチル-1,3-ジチオール-2-イル)-1,3-ベンゾジチオール-2-イル]ホスホン酸ジエチル
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： C21H30NO3PS4
Molecular formula furigana： C21-H30-N-O3-P-S4
Molecular weight： 503.690
InChI： InChI=1S/C21H30NO3PS4/c1-5-24-26(23,25-6-2)21(29-18-12-8-9-13-19(18)30-21)20(22-14-10-7-11-15-22)27-16(3)17(4)28-20/h8-9,12-13H,5-7,10-11,14-15H2,1-4H3
InChI key： QUXPHACAYYAQKC-UHFFFAOYSA-N
SMILES： CCOP(=O)(OCC)C1(Sc2ccccc2S1)C1(SC(=C(C)S1)C)N1CCCCC1
Systematic name  (3)：
  • [2-(2-ピペリジノ-4,5-ジメチル-1,3-ジチオール-2-イル)-1,3-ベンゾジチオール-2-イル]ホスホン酸ジエチル
  • ジエチル {2-[4,5-ジメチル-2-(ピペリジン-1-イル)-2H-1,3-ジチオール-2-イル]-2H-1,3-ベンゾジチオール-2-イル}ホスホナート
  • diethyl {2-[4,5-dimethyl-2-(piperidin-1-yl)-2H-1,3-dithiol-2-yl]-2H-1,3-benzodithiol-2-yl}phosphonate
Other name (1)：
  • [2-(2-Piperidino-4,5-dimethyl-1,3-dithiol-2-yl)-1,3-benzodithiol-2-yl]phosphonic acid diethyl ester
Thsaurus map：
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