Chem
J-GLOBAL ID:200907028106028216   Nikkaji number:J709.308J

2-[2-[[3-(3-Sulfopropyl)-5-phenyl-2,3-dihydronaphth[2,3-d]oxazol]-2-ylidenemethyl]-2-butenyl]-3-(3-sulfopropyl)naphth[2,3-d]oxazol-3-ium

2-[2-[[3-(3-スルホプロピル)-5-フェニル-2,3-ジヒドロナフト[2,3-d]オキサゾール]-2-イリデンメチル]-2-ブテニル]-3-(3-スルホプロピル)ナフト[2,3-d]オキサゾール-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: C39H37N[N+]O8S2
Molecular formula furigana: C39-H37-N2-O8-S2
Molecular weight: 725.850
InChI: InChI=1S/C39H36N2O8S2/c1-2-27(21-38-40(17-9-19-50(42,43)44)34-23-29-13-6-7-14-30(29)24-36(34)48-38)22-39-41(18-10-20-51(45,46)47)35-26-33-31(25-37(35)49-39)15-8-16-32(33)28-11-4-3-5-12-28/h2-8,11-16,22-26H,9-10,17-21H2,1H3,(H-,42,43,44,45,46,47)/p+1
InChI key: SSTXVWCIQSIKOO-UHFFFAOYSA-O
SMILES: CC=C(Cc1oc2cc3ccccc3cc2[n+]1CCCS(=O)(=O)O)C=c1oc2cc3cccc(c4ccccc4)c3cc2n1CCCS(=O)(=O)O
Systematic name  (3):
  • 2-[2-[[3-(3-スルホプロピル)-5-フェニル-2,3-ジヒドロナフト[2,3-d]オキサゾール]-2-イリデンメチル]-2-ブテニル]-3-(3-スルホプロピル)ナフト[2,3-d]オキサゾール-3-イウム
  • 2-(2-{[5-フェニル-3-(3-スルホプロピル)-2H,3H-ナフト[2,3-d][1,3]オキサゾール-2-イリデン]メチル}ブタ-2-エン-1-イル)-3-(3-スルホプロピル)ナフト[2,3-d][1,3]オキサゾール-3-イウム
  • 2-(2-{[5-phenyl-3-(3-sulfopropyl)-2H,3H-naphtho[2,3-d][1,3]oxazol-2-ylidene]methyl}but-2-en-1-yl)-3-(3-sulfopropyl)naphtho[2,3-d][1,3]oxazol-3-ium
Other name (1):
  • 2-[2-[[3-(3-Sulfopropyl)-5-phenyl-2,3-dihydronaphth[2,3-d]oxazol]-2-ylidenemethyl]-2-butenyl]-3-(3-sulfopropyl)naphth[2,3-d]oxazol-3-ium
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