Chem
J-GLOBAL ID：201907008141603696
Nikkaji number：J3.739.122K
diethyl [3-(1-benzothiophen-2-yl)-1-hydroxy-2-isopropoxy-4-oxocyclobut-2-en-1-yl]difluoromethylphosphonate
ジエチル[3-(1-ベンゾチオフェン-2-イル)-1-ヒドロキシ-2-イソプロポキシ-4-オキソシクロブタ-2-エン-1-イル]ジフルオロメチルホスホナート
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： C20H23F2O6PS
Molecular formula furigana： C20-H23-F2-O6-P-S
Molecular weight： 460.430
InChI：
InChI=1S/C20H23F2O6PS/c1-5-26-29(25,27-6-2)20(21,22)19(24)17(23)16(18(19)28-12(3)4)15-11-13-9-7-8-10-14(13)30-15/h7-12,24H,5-6H2,1-4H3
InChI key：
UUGIIGRUGRZQDJ-UHFFFAOYSA-N
SMILES：
C1(=O)C(=C(C1(C(F)(F)P(=O)(OCC)OCC)O)OC(C)C)c1sc2c(c1)cccc2
Systematic name (3)：
- 2-(ベンゾ[b]チオフェン-2-イル)-3-イソプロポキシ-4-ヒドロキシ-4-[(ジエトキシホスフィニル)ジフルオロメチル]-2-シクロブテン-1-オン
- ジエチル{[3-(1-ベンゾチオフェン-2-イル)-1-ヒドロキシ-4-オキソ-2-(プロパン-2-イルオキシ)シクロブタ-2-エン-1-イル]ジフルオロメチル}ホスホナート
- diethyl {[3-(1-benzothiophen-2-yl)-1-hydroxy-4-oxo-2-(propan-2-yloxy)cyclobut-2-en-1-yl]difluoromethyl}phosphonate
- ジエチル[3-(1-ベンゾチオフェン-2-イル)-1-ヒドロキシ-2-イソプロポキシ-4-オキソシクロブタ-2-エン-1-イル]ジフルオロメチルホスホナート
- diethyl [3-(1-benzothiophen-2-yl)-1-hydroxy-2-isopropoxy-4-oxocyclobut-2-en-1-yl]difluoromethylphosphonate
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