Chem
J-GLOBAL ID:200907050272892463   Nikkaji number:J844.758F

2-[2-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)-15-yl]ethenyl]-3-(2-sulfonatoethyl)benzothiazol-3-ium

2-[2-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン)-15-イル]エテニル]-3-(2-スルホナトエチル)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: C25H29[N+]O7[O-]S2
Molecular formula furigana: C25-H29-N-O8-S2
Molecular weight: 535.630
InChI: InChI=1S/C25H29NO8S2/c27-36(28,29)18-9-26-21-3-1-2-4-24(21)35-25(26)8-6-20-5-7-22-23(19-20)34-17-15-32-13-11-30-10-12-31-14-16-33-22/h1-8,19H,9-18H2
InChI key: UZSDJKKPXPADPN-UHFFFAOYSA-N
SMILES: [O-]S(=O)(=O)CC[n+]1c(C=Cc2ccc3OCCOCCOCCOCCOc3c2)sc2ccccc12
Systematic name  (3):
  • 2-[2-[(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン)-15-イル]エテニル]-3-(2-スルホナトエチル)ベンゾチアゾール-3-イウム
  • 2-[2-(2,3,5,6,8,9,11,12-オクタヒドロ-1,4,7,10,13-ベンゾペンタオキサシクロペンタデシン-15-イル)エテニル]-3-(2-スルホナトエチル)-1,3-ベンゾチアゾール-3-イウム
  • 2-[2-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethenyl]-3-(2-sulfonatoethyl)-1,3-benzothiazol-3-ium
Other name (1):
  • 2-[2-[(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin)-15-yl]ethenyl]-3-(2-sulfonatoethyl)benzothiazol-3-ium
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