Chem
J-GLOBAL ID:200907017613367039   Nikkaji number:J654.514I

2-[(Diethoxyphosphinyloxy)methyl]1,2-benzisothiazol-3(2H)-one 1,1-dioxide

2-[(ジエトキシホスフィニルオキシ)メチル]1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
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: C12H16NO5[O-]2P[S+2]
Molecular formula furigana: C12-H16-N-O7-P-S
Molecular weight: 349.290
InChI: InChI=1S/C12H16NO7PS/c1-3-18-21(15,19-4-2)20-9-13-12(14)10-7-5-6-8-11(10)22(13,16)17/h5-8H,3-4,9H2,1-2H3
InChI key: PEIDQIXMQRLFHH-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)OCN1C(=O)c2ccccc2[S+2]1([O-])[O-]
Systematic name  (4):
  • 2-[(ジエトキシホスフィニルオキシ)メチル]1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
  • 2-[(ジエトキシホスフィニルオキシ)メチル]-1,2-ベンゾイソチアゾール-3(2H)-オン1,1-ジオキシド
  • 2-{[(ジエトキシホスホリル)オキシ]メチル}-3-オキソ-2,3-ジヒドロ-1H-1,2-ベンゾチアゾール-1,1-ジイウム-1,1-ビス(オラート)
  • 2-{[(diethoxyphosphoryl)oxy]methyl}-3-oxo-2,3-dihydro-1H-1,2-benzothiazole-1,1-diium-1,1-bis(olate)
Other name (2):
  • 2-[(Diethoxyphosphinyloxy)methyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
  • 2-[(Diethoxyphosphinyloxy)methyl]1,2-benzisothiazol-3(2H)-one 1,1-dioxide
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