Chem
J-GLOBAL ID：201407015903909088   Nikkaji number：J3.237.338K

Azocarmine G

アゾカルミンG
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： C28H18N2[N+]NaO5[O-]S2
Molecular formula furigana： C28-H18-N3-NA-O6-S2
Molecular weight： 579.580
InChI： InChI=1S/C28H19N3O6S2.Na/c32-38(33,34)20-12-10-18(11-13-20)29-25-17-27-28(22-15-14-21(16-23(22)25)39(35,36)37)30-24-8-4-5-9-26(24)31(27)19-6-2-1-3-7-19;/h1-17H,(H2,32,33,34,35,36,37);/q;+1/p-1
InChI key： LUERODMRBLNCFK-UHFFFAOYSA-M
SMILES： [O-]S(=O)(=O)c1ccc2c(c1)c(Nc1ccc(cc1)S(=O)(=O)O[Na])cc1[n+](c3ccccc3)c3ccccc3nc21
Systematic name  (3)：
  • 3-スルホナト-5-[[4-(ソジオオキシスルホニル)フェニル]アミノ]-7-フェニルベンゾ[a]フェナジン-7-イウム
  • 10-フェニル-12-({4-[(ソジオオキシ)スルホニル]フェニル}アミノ)-5,10λ5-ジアザテトラフェン-10-イリウム-2-スルホナート
  • 10-phenyl-12-({4-[(sodiooxy)sulfonyl]phenyl}amino)-5,10λ5-diazatetraphen-10-ylium-2-sulfonate
Other name (3)：
  • 3-Sulfonato-5-[[4-(sodiooxysulfonyl)phenyl]amino]-7-phenylbenzo[a]phenazine-7-ium
  • アゾカルミンG
  • Azocarmine G
CAS registry number： 25641-18-3
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