Chem
J-GLOBAL ID：200907068596593708   Nikkaji number：J2.312.299E

4-[5-Hydroxy-3-methyl-4-[3-phenyl-5-[1-(4-sulfophenyl)-3-methyl-5-oxo-1H-pyrazole-4(5H)-ylidene]-1,3-pentadienyl]-1H-pyrazole-1-yl]benzenesulfonic acid

4-[5-ヒドロキシ-3-メチル-4-[3-フェニル-5-[1-(4-スルホフェニル)-3-メチル-5-オキソ-1H-ピラゾール-4(5H)-イリデン]-1,3-ペンタジエニル]-1H-ピラゾール-1-イル]ベンゼンスルホン酸
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： C31H26N4O8S2
Molecular formula furigana： C31-H26-N4-O8-S2
Molecular weight： 646.690
InChI： InChI=1S/C31H26N4O8S2/c1-20-28(30(36)34(32-20)24-10-14-26(15-11-24)44(38,39)40)18-8-23(22-6-4-3-5-7-22)9-19-29-21(2)33-35(31(29)37)25-12-16-27(17-13-25)45(41,42)43/h3-19,36H,1-2H3,(H,38,39,40)(H,41,42,43)
InChI key： FMQKQPZMPLGLKH-UHFFFAOYSA-N
SMILES： CC1=NN(C(=O)C1=CC=C(C=Cc1c(C)nn(c1O)c1ccc(cc1)S(=O)(=O)O)c1ccccc1)c1ccc(cc1)S(=O)(=O)O
Systematic name  (3)：
  • 4-[5-ヒドロキシ-3-メチル-4-[3-フェニル-5-[1-(4-スルホフェニル)-3-メチル-5-オキソ-1H-ピラゾール-4(5H)-イリデン]-1,3-ペンタジエニル]-1H-ピラゾール-1-イル]ベンゼンスルホン酸
  • 4-(5-ヒドロキシ-3-メチル-4-{5-[3-メチル-5-オキソ-1-(4-スルホフェニル)-4,5-ジヒドロ-1H-ピラゾール-4-イリデン]-3-フェニルペンタ-1,3-ジエン-1-イル}-1H-ピラゾール-1-イル)ベンゼン-1-スルホン酸
  • 4-(5-hydroxy-3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-ylidene]-3-phenylpenta-1,3-dien-1-yl}-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Other name (1)：
  • 4-[5-Hydroxy-3-methyl-4-[3-phenyl-5-[1-(4-sulfophenyl)-3-methyl-5-oxo-1H-pyrazole-4(5H)-ylidene]-1,3-pentadienyl]-1H-pyrazole-1-yl]benzenesulfonic acid
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