Chem
J-GLOBAL ID：200907054364832810   Nikkaji number：J1.323.156G

2-[3-[[3-(3-Sulfopropyl)-2,3-dihydro-5-chlorobenzothiazole]-2-ylidene]-2-phenyl-1-propenyl]-3-(3-sulfopropyl)-5-chlorobenzothiazole-3-ium

2-[3-[[3-(3-スルホプロピル)-2,3-ジヒドロ-5-クロロベンゾチアゾール]-2-イリデン]-2-フェニル-1-プロペニル]-3-(3-スルホプロピル)-5-クロロベンゾチアゾール-3-イウム
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： C29H27Cl2N[N+]O6S4
Molecular formula furigana： C29-H27-CL2-N2-O6-S4
Molecular weight： 698.680
InChI： InChI=1S/C29H26Cl2N2O6S4/c30-22-8-10-26-24(18-22)32(12-4-14-42(34,35)36)28(40-26)16-21(20-6-2-1-3-7-20)17-29-33(13-5-15-43(37,38)39)25-19-23(31)9-11-27(25)41-29/h1-3,6-11,16-19H,4-5,12-15H2,(H-,34,35,36,37,38,39)/p+1
InChI key： KVLGPUFTHYGWOO-UHFFFAOYSA-O
SMILES： OS(=O)(=O)CCCn1c(=CC(=Cc2sc3ccc(Cl)cc3[n+]2CCCS(=O)(=O)O)c2ccccc2)sc2ccc(Cl)cc12
Systematic name  (3)：
  • 2-[3-[[3-(3-スルホプロピル)-2,3-ジヒドロ-5-クロロベンゾチアゾール]-2-イリデン]-2-フェニル-1-プロペニル]-3-(3-スルホプロピル)-5-クロロベンゾチアゾール-3-イウム
  • 5-クロロ-2-{3-[5-クロロ-3-(3-スルホプロピル)-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン]-2-フェニルプロパ-1-エン-1-イル}-3-(3-スルホプロピル)-1,3-ベンゾチアゾール-3-イウム
  • 5-chloro-2-{3-[5-chloro-3-(3-sulfopropyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-phenylprop-1-en-1-yl}-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
Other name (1)：
  • 2-[3-[[3-(3-Sulfopropyl)-2,3-dihydro-5-chlorobenzothiazole]-2-ylidene]-2-phenyl-1-propenyl]-3-(3-sulfopropyl)-5-chlorobenzothiazole-3-ium
Thsaurus map：
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