Chem
J-GLOBAL ID：200907095827352722   Nikkaji number：J2.455.447C

2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4-isopropoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid

2-[2,4,5,7-テトラフルオロ-3-オキソ-6-[(2-ニトロ-4-イソプロポキシフェニル)スルホニルオキシ]-3H-キサンテン-9-イル]安息香酸
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： C29H17F4[N+]O9[O-]S
Molecular formula furigana： C29-H17-F4-N-O10-S
Molecular weight： 647.510
InChI： InChI=1S/C29H17F4NO10S/c1-12(2)42-13-7-8-21(20(9-13)34(38)39)45(40,41)44-28-19(31)11-17-22(14-5-3-4-6-15(14)29(36)37)16-10-18(30)25(35)23(32)26(16)43-27(17)24(28)33/h3-12H,1-2H3,(H,36,37)
InChI key： ROABLCVALOUOSO-UHFFFAOYSA-N
SMILES： CC(C)Oc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Oc1c(F)cc2c(c3ccccc3C(=O)O)c3cc(F)c(=O)c(F)c3oc2c1F
Systematic name  (3)：
  • 2-[2,4,5,7-テトラフルオロ-3-オキソ-6-[(2-ニトロ-4-イソプロポキシフェニル)スルホニルオキシ]-3H-キサンテン-9-イル]安息香酸
  • 2-(2,4,5,7-テトラフルオロ-6-{[2-ニトロ-4-(プロパン-2-イルオキシ)ベンゼンスルホニル]オキシ}-3-オキソ-3H-キサンテン-9-イル)安息香酸
  • 2-(2,4,5,7-tetrafluoro-6-{[2-nitro-4-(propan-2-yloxy)benzenesulfonyl]oxy}-3-oxo-3H-xanthen-9-yl)benzoic acid
Other name (1)：
  • 2-[2,4,5,7-Tetrafluoro-3-oxo-6-[(2-nitro-4-isopropoxyphenyl)sulfonyloxy]-3H-xanthene-9-yl]benzoic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM