Chem
J-GLOBAL ID：200907071519005675
Nikkaji number：J1.786.631A
1-Ethyl-3,3-dimethyl-2-[3-[3,3-dimethyl-5-(potassiooxysulfonyl)-1-(5-carboxypentyl)-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-(5-カルボキシペンチル)-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 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
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
Molecular formula： C31H36KN[N+]O6[O-]2S2
Molecular formula furigana： C31-H36-K-N2-O8-S2
Molecular weight： 667.850
InChI：
InChI=1S/C31H38N2O8S2.K/c1-6-32-25-16-14-21(42(36,37)38)19-23(25)30(2,3)27(32)11-10-12-28-31(4,5)24-20-22(43(39,40)41)15-17-26(24)33(28)18-9-7-8-13-29(34)35;/h10-12,14-17,19-20H,6-9,13,18H2,1-5H3,(H2-,34,35,36,37,38,39,40,41);/q;+1/p-2
InChI key：
YISNCKBAILWZRU-UHFFFAOYSA-L
SMILES：
CC[N+]1=C(C=CC=C2N(CCCCCC(=O)[O-])c3ccc(cc3C2(C)C)S(=O)(=O)O[K])C(C)(C)c2cc(ccc12)S(=O)(=O)[O-]
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-(5-カルボキシペンチル)-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
- 2-{3-[1-(5-カルボキシラトペンチル)-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}-1-エチル-3,3-ジメチル-3H-インドール-1-イウム-5-スルホナート
- 2-{3-[1-(5-carboxylatopentyl)-3,3-dimethyl-5-[(potassiooxy)sulfonyl]-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
- 1-Ethyl-3,3-dimethyl-2-[3-[3,3-dimethyl-5-(potassiooxysulfonyl)-1-(5-carboxypentyl)-2,3-dihydro-1H-indole-2-ylidene]-1-propenyl]-3H-indole-1-ium-5-sulfonate
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