Chem
J-GLOBAL ID：200907072418282780   Nikkaji number：J1.786.630C

1-Ethyl-3,3-dimethyl-2-[3-[3,3-dimethyl-5-(potassiooxysulfonyl)-1-ethyl-2,3-dihydro-1H-indole-2-ylidene]-1-propenyl]-3H-indole-1-ium-5-sulfonate

1-エチル-3,3-ジメチル-2-[3-[3,3-ジメチル-5-(ポタシオオキシスルホニル)-1-エチル-2,3-ジヒドロ-1H-インドール-2-イリデン]-1-プロペニル]-3H-インドール-1-イウム-5-スルホナート
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： C27H31KN[N+]O5[O-]S2
Molecular formula furigana： C27-H31-K-N2-O6-S2
Molecular weight： 582.770
InChI： InChI=1S/C27H32N2O6S2.K/c1-7-28-22-14-12-18(36(30,31)32)16-20(22)26(3,4)24(28)10-9-11-25-27(5,6)21-17-19(37(33,34)35)13-15-23(21)29(25)8-2;/h9-17H,7-8H2,1-6H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChI key： NCSHBPPBHPXBJE-UHFFFAOYSA-M
SMILES： CCN1C(=CC=CC2=[N+](CC)c3ccc(cc3C2(C)C)S(=O)(=O)[O-])C(C)(C)c2cc(ccc12)S(=O)(=O)O[K]
Systematic name  (3)：
  • 1-エチル-3,3-ジメチル-2-[3-[3,3-ジメチル-5-(ポタシオオキシスルホニル)-1-エチル-2,3-ジヒドロ-1H-インドール-2-イリデン]-1-プロペニル]-3H-インドール-1-イウム-5-スルホナート
  • 1-エチル-2-(3-{1-エチル-3,3-ジメチル-5-[(ポタッシオオキシ)スルホニル]-2,3-ジヒドロ-1H-インドール-2-イリデン}プロパ-1-エン-1-イル)-3,3-ジメチル-3H-インドール-1-イウム-5-スルホナート
  • 1-ethyl-2-(3-{1-ethyl-3,3-dimethyl-5-[(potassiooxy)sulfonyl]-2,3-dihydro-1H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
Other name (1)：
  • 1-Ethyl-3,3-dimethyl-2-[3-[3,3-dimethyl-5-(potassiooxysulfonyl)-1-ethyl-2,3-dihydro-1H-indole-2-ylidene]-1-propenyl]-3H-indole-1-ium-5-sulfonate
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