Chem
J-GLOBAL ID：200907004229192014   Nikkaji number：J2.013.551D

NK-2761

NK-2761
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： C24H27N2NaO4S3
Molecular formula furigana： C24-H27-N2-NA-O4-S3
Molecular weight： 526.660
InChI： InChI=1S/C24H28N2O4S3.Na/c1-2-3-16-26-23(27)22(32-24(26)31)13-7-4-10-19-14-17-25(15-8-9-18-33(28,29)30)21-12-6-5-11-20(19)21;/h4-7,10-14,17H,2-3,8-9,15-16,18H2,1H3,(H,28,29,30);/q;+1/p-1
InChI key： XPCFDGGULJHRIW-UHFFFAOYSA-M
SMILES： CCCCN1C(=S)SC(=CC=CC=c2ccn(CCCCS(=O)(=O)O[Na])c3ccccc23)C1=O
Systematic name  (3)：
  • 4-[4-[4-(3-ブチル-4-オキソ-2-チオキソチアゾリジン-5-イリデン)-2-ブテニリデン]-1,4-ジヒドロキノリン-1-イル]-1-ブタンスルホン酸ナトリウム
  • ナトリウム 4-{4-[4-(3-ブチル-4-オキソ-2-スルファニリデン-1,3-チアゾリジン-5-イリデン)ブタ-2-エン-1-イリデン]-1,4-ジヒドロキノリン-1-イル}ブタン-1-スルホナート
  • sodium 4-{4-[4-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-en-1-ylidene]-1,4-dihydroquinolin-1-yl}butane-1-sulfonate
Other name (4)：
  • 4-[4-[4-(3-Butyl-4-oxo-2-thioxothiazolidine-5-ylidene)-2-butenylidene]-1,4-dihydroquinoline-1-yl]-1-butanesulfonic acid sodium salt
  • NK-2761
  • Merocyanine-rhodanine dye
  • メロシアニン-ロダニン染料
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