Chem
J-GLOBAL ID：200907017960130790   Nikkaji number：J20.553B

Xylidyl Blue I

キシリジルブルーI
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： C25H21N3O6S
Molecular formula furigana： C25-H21-N3-O6-S
Molecular weight： 491.520
InChI： InChI=1S/C25H21N3O6S/c1-14-7-9-20(15(2)11-14)26-25(31)19-13-23(30)24(18-6-4-3-5-17(18)19)28-27-21-12-16(35(32,33)34)8-10-22(21)29/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34)
InChI key： JZQONTDEAKNNEP-UHFFFAOYSA-N
SMILES： Cc1ccc(NC(=O)c2cc(O)c(N=Nc3cc(ccc3O)S(=O)(=O)O)c3ccccc23)c(C)c1
Systematic name  (3)：
  • 3-[[4-[(2,4-ジメチルフェニル)カルバモイル]-2-ヒドロキシ-1-ナフチル]アゾ]-4-ヒドロキシベンゼンスルホン酸
  • 3-(2-{4-[(2,4-ジメチルフェニル)カルバモイル]-2-ヒドロキシナフタレン-1-イル}ジアゼン-1-イル)-4-ヒドロキシベンゼン-1-スルホン酸
  • 3-(2-{4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl}diazen-1-yl)-4-hydroxybenzene-1-sulfonic acid
Other name (3)：
  • キシリジルブルーI
  • Xylidyl Blue I
  • 3-[[4-[(2,4-Dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulfonic acid
CAS registry number： 36505-52-9
Regulation number (1)：
  • EINECS2530717
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