Chem
J-GLOBAL ID:200907042581748129   Nikkaji number:J2.300.226D

4-[1-(1H-Benzotriazole-1-yl)-1-[4-[difluorophosphonomethyl]benzyl]-4-phenyl-3-butenyl]benzoic acid 1-methyl ester

4-[1-(1H-ベンゾトリアゾール-1-イル)-1-[4-[ジフルオロホスホノメチル]ベンジル]-4-フェニル-3-ブテニル]安息香酸1-メチル
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: C32H28F2N3O5P
Molecular formula furigana: C32-H28-F2-N3-O5-P
Molecular weight: 603.563
InChI: InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)
InChI key: GWWTUJWRRCTCSI-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)C(CC=Cc1ccccc1)(Cc1ccc(cc1)C(F)(F)P(=O)(O)O)n1nnc2ccccc12
Systematic name  (3):
  • 4-[1-(1H-ベンゾトリアゾール-1-イル)-1-[4-[ジフルオロホスホノメチル]ベンジル]-4-フェニル-3-ブテニル]安息香酸1-メチル
  • ({4-[2-(1H-1,2,3-ベンゾトリアゾール-1-イル)-2-[4-(メトキシカルボニル)フェニル]-5-フェニルペンタ-4-エン-1-イル]フェニル}ジフルオロメチル)ホスホン酸
  • ({4-[2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid
Other name (1):
  • 4-[1-(1H-Benzotriazole-1-yl)-1-[4-[difluorophosphonomethyl]benzyl]-4-phenyl-3-butenyl]benzoic acid 1-methyl ester
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