Chem
J-GLOBAL ID：200907074601904024   Nikkaji number：J2.620.912I

3,6-Diamino-9-[2,4-bis(lithiooxycarbonyl)phenyl]-4-(lithiooxysulfonyl)-5-sulfonatoxanthylium

3,6-ジアミノ-9-[2,4-ビス(リチオオキシカルボニル)フェニル]-4-(リチオオキシスルホニル)-5-スルホナトキサンチリウム
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： C21H11Li3N2O9[O-][O+]S2
Molecular formula furigana： C21-H11-LI3-N2-O11-S2
Molecular weight： 552.260
InChI： InChI=1S/C21H14N2O11S2.3Li/c22-13-5-3-10-15(9-2-1-8(20(24)25)7-12(9)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30;;;/h1-7H,22-23H2,(H3-,24,25,26,27,28,29,30,31,32,33);;;/q;3*+1/p-3
InChI key： GIRNZCRBEHUQNX-UHFFFAOYSA-K
SMILES： [Li]OC(=O)c1ccc(c(c1)C(=O)O[Li])c1c2ccc(N)c(c2[o+]c2c(c(N)ccc12)S(=O)(=O)O[Li])S(=O)(=O)[O-]
Systematic name  (3)：
  • 3,6-ジアミノ-9-[2,4-ビス(リチオオキシカルボニル)フェニル]-4-(リチオオキシスルホニル)-5-スルホナトキサンチリウム
  • 3,6-ジアミノ-9-{2,4-ビス[(リチオオキシ)カルボニル]フェニル}-5-[(リチオオキシ)スルホニル]-10λ4-キサンテン-10-イリウム-4-スルホナート
  • 3,6-diamino-9-{2,4-bis[(lithiooxy)carbonyl]phenyl}-5-[(lithiooxy)sulfonyl]-10λ4-xanthen-10-ylium-4-sulfonate
Other name (1)：
  • 3,6-Diamino-9-[2,4-bis(lithiooxycarbonyl)phenyl]-4-(lithiooxysulfonyl)-5-sulfonatoxanthylium
Thsaurus map：
Thesaurus Map

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