Chem
J-GLOBAL ID:200907051560206104   Nikkaji number:J1.909.172D

2-[3-[1-(3-Triethylammoniosulfopropyl)naphtho[1,2-d]thiazole-2(1H)-ylidene]-2-methyl-1-propenyl]-1-(2-sulfonatoethyl)naphtho[1,2-d]thiazole-1-ium

2-[3-[1-(3-トリエチルアンモニオスルホプロピル)ナフト[1,2-d]チアゾール-2(1H)-イリデン]-2-メチル-1-プロペニル]-1-(2-スルホナトエチル)ナフト[1,2-d]チアゾール-1-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: C37H42N[N+]2O5[O-]S4
Molecular formula furigana: C37-H42-N3-O6-S4
Molecular weight: 753.000
InChI: InChI=1S/C37H42N3O6S4/c1-5-40(6-2,7-3)46-50(44,45)23-12-21-38-34(47-32-19-17-28-13-8-10-15-30(28)36(32)38)25-27(4)26-35-39(22-24-49(41,42)43)37-31-16-11-9-14-29(31)18-20-33(37)48-35/h8-11,13-20,25-26H,5-7,12,21-24H2,1-4H3/q+1
InChI key: PQZLSBPXZHSXSR-UHFFFAOYSA-N
SMILES: CC[N+](CC)(CC)OS(=O)(=O)CCCn1c(=CC(=Cc2sc3ccc4ccccc4c3[n+]2CCS(=O)(=O)[O-])C)sc2ccc3ccccc3c12
Systematic name  (3):
  • 2-[3-[1-(3-トリエチルアンモニオスルホプロピル)ナフト[1,2-d]チアゾール-2(1H)-イリデン]-2-メチル-1-プロペニル]-1-(2-スルホナトエチル)ナフト[1,2-d]チアゾール-1-イウム
  • 2-{2-メチル-3-[1-(3-{[(トリエチルアザニウミル)オキシ]スルホニル}プロピル)-1H,2H-ナフト[1,2-d][1,3]チアゾール-2-イリデン]プロパ-1-エン-1-イル}-1-(2-スルホナトエチル)ナフト[1,2-d][1,3]チアゾール-1-イウム
  • 2-{2-methyl-3-[1-(3-{[(triethylazaniumyl)oxy]sulfonyl}propyl)-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene]prop-1-en-1-yl}-1-(2-sulfonatoethyl)naphtho[1,2-d][1,3]thiazol-1-ium
Other name (1):
  • 2-[3-[1-(3-Triethylammoniosulfopropyl)naphtho[1,2-d]thiazole-2(1H)-ylidene]-2-methyl-1-propenyl]-1-(2-sulfonatoethyl)naphtho[1,2-d]thiazole-1-ium
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