Chem
J-GLOBAL ID:202007000427583099
Nikkaji number:J3.749.900E
1-methyl-3-{3-[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-3-ium-1-yl]-2,2-bis({[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-3-ium-1-yl]methyl})propyl}-5-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-1-ium
1-メチル-3-{3-[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-3-イウム-1-イル]-2,2-ビス({[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-3-イウム-1-イル]メチル})プロピル}-5-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-1-イウム
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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:
C49 H92 N12 O16
Molecular formula furigana:
C49-H92-N12-O16
Molecular weight:
1105.341
InChI:
InChI=1S/C49H92N12O16/c1-54-45(37-74-29-25-70-21-17-66-13-9-62-5)33-58(50-54)41-49(42-59-34-46(55(2)51-59)38-75-30-26-71-22-18-67-14-10-63-6,43-60-35-47(56(3)52-60)39-76-31-27-72-23-19-68-15-11-64-7)44-61-36-48(57(4)53-61)40-77-32-28-73-24-20-69-16-12-65-8/h33-36H,9-32,37-44H2,1-8H3/q+4
InChI key:
FUHJJEVKWRFMHL-UHFFFAOYSA-N
SMILES:
C(Cn1n[n+](c(c1)COCCOCCOCCOC)C)(Cn1n[n+](c(c1)COCCOCCOCCOC)C)(Cn1n[n+](c(c1)COCCOCCOCCOC)C)Cn1n[n+](c(c1)COCCOCCOCCOC)C
Systematic name (3):
テトラキス[[3-メチル-4-[[2-[2-(2-メトキシエトキシ)エトキシ]エトキシ]メチル]-1H-1,2,3-トリアゾール-3-イウム-1-イル]メチル]メタン
3-メチル-1-{3-[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1H-1,2,3-トリアゾール-3-イウム-1-イル]-2,2-ビス({[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1H-1,2,3-トリアゾール-3-イウム-1-イル]メチル})プロピル}-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1H-1,2,3-トリアゾール-3-イウム
3-methyl-1-{3-[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1H-1,2,3-triazol-3-ium-1-yl]-2,2-bis({[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1H-1,2,3-triazol-3-ium-1-yl]methyl})propyl}-4-(2,5,8,11-tetraoxadodecan-1-yl)-1H-1,2,3-triazol-3-ium
Other name (2):
1-メチル-3-{3-[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-3-イウム-1-イル]-2,2-ビス({[3-メチル-4-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-3-イウム-1-イル]メチル})プロピル}-5-(2,5,8,11-テトラオキサドデカン-1-イル)-1,2,3-トリアゾール-1-イウム
1-methyl-3-{3-[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-3-ium-1-yl]-2,2-bis({[3-methyl-4-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-3-ium-1-yl]methyl})propyl}-5-(2,5,8,11-tetraoxadodecan-1-yl)-1,2,3-triazol-1-ium
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