Chem
J-GLOBAL ID：200907005056579410   Nikkaji number：J417.705C

3,3′-Disulfopuropyl-5,5′-dichloro-9-ethylthiacarbocyanine

3,3′-ジスルホプロピル-5,5′-ジクロロ-9-エチルチアカルボシアニン
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： C25H26Cl2N[N+]O5[O-]S4
Molecular formula furigana： C25-H26-CL2-N2-O6-S4
Molecular weight： 649.630
InChI： InChI=1S/C25H26Cl2N2O6S4/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35)
InChI key： FRMYXXTYHMKKGA-UHFFFAOYSA-N
SMILES： CCC(=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-])C=c1sc2ccc(Cl)cc2n1CCCS(=O)(=O)O
Systematic name  (15)：
  • 2-[2-[3-(3-スルホプロピル)-5-クロロベンゾチアゾール-2(3H)-イリデンメチル]-1-ブテニル]-3-(3-スルホナトプロピル)-5-クロロベンゾチアゾール-3-イウム
  • 5-クロロ-3-(3-スルホナトプロピル)-2-[2-[[5-クロロ-3-(3-スルホプロピル)ベンゾチアゾール-2(3H)-イリデン]メチル]-1-ブテニル]ベンゾチアゾール-3-イウム
  • 5-クロロ-2-[2-[[5-クロロ-3-(3-スルホプロピル)ベンゾチアゾール-2(3H)-イリデン]メチル]-1-ブテニル]-3-(3-スルホナトプロピル)ベンゾチアゾール-3-イウム
  • 2-[3-[3-(3-スルホプロピル)-5-クロロベンゾチアゾール-2(3H)-イリデン]-2-エチル-1-プロペニル]-3-(3-スルホナトプロピル)-5-クロロベンゾチアゾール-3-イウム
  • 5-クロロ-2-[2-[5-クロロ-3-(3-スルホプロピル)ベンゾチアゾール-2(3H)-イリデンメチル]-1-ブテニル]-3-(3-スルホナトプロピル)ベンゾチアゾール-3-イウム
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Other name (13)：
  • 5-Chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)benzothiazol-2(3H)-ylidene]methyl]-1-butenyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium
  • 2-[3-[3-(3-Sulfopropyl)-5-chlorobenzothiazole-2(3H)-ylidene]-2-ethyl-1-propenyl]-3-(3-sulfonatopropyl)-5-chlorobenzothiazole-3-ium
  • 5-Chloro-2-[2-[5-chloro-3-(3-sulfopropyl)benzothiazole-2(3H)-ylidenemethyl]-1-butenyl]-3-(3-sulfonatopropyl)benzothiazole-3-ium
  • 2-[3-[5-Chloro-3-(3-sulfopropyl)benzothiazole-2(3H)-ylidene]-2-ethyl-1-propenyl]-5-chloro-3-(3-sulfonatopropyl)benzothiazole-3-ium
  • 2-[2-[5-Chloro-3-(3-sulfopropyl)benzothiazole-2(3H)-ylidenemethyl]-1-butenyl]-5-chloro-3-(3-sulfonatopropyl)benzothiazole-3-ium
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