Chem
J-GLOBAL ID：200907036797016025
Nikkaji number：J1.511.817B
Bis(phosphoric acid 2-trimethylaminioethyl)(1,4,21,24-tetraoxacyclotetracontane-11,14,31,33-tetryne-2,23-diyl)bismethylene ester
ビス(りん酸2-トリメチルアミニオエチル)(1,4,21,24-テトラオキサシクロテトラコンタン-11,14,31,33-テトライン-2,23-ジイル)ビスメチレン
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： C48H86[N+]2O12P2
Molecular formula furigana： C48-H86-N2-O12-P2
Molecular weight： 945.164
InChI：
InChI=1S/C48H84N2O12P2/c1-49(2,3)35-41-59-63(51,52)61-45-47-43-55-37-31-27-23-19-15-11-7-8-12-16-20-24-28-32-38-56-44-48(46-62-64(53,54)60-42-36-50(4,5)6)58-40-34-30-26-22-18-14-10-9-13-17-21-25-29-33-39-57-47/h47-48H,7,16-46H2,1-6H3/p+2
InChI key：
NEMZQCJRAARMQG-UHFFFAOYSA-P
SMILES：
C[N+](C)(C)CCOP(=O)(O)OCC1COCCCCCCC#CCC#CCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCC#CC#CCCCCCCO1
Systematic name (3)：
- ビス(りん酸2-トリメチルアミニオエチル)(1,4,21,24-テトラオキサシクロテトラコンタン-11,14,31,33-テトライン-2,23-ジイル)ビスメチレン
- ({23-[({ヒドロキシ[2-(トリメチルアザニウミル)エトキシ]ホスホリル}オキシ)メチル]-1,4,21,24-テトラオキサシクロテトラコンタ-10,13,31,33-テトライン-2-イル}メトキシ)[2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
- ({23-[({hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}oxy)methyl]-1,4,21,24-tetraoxacyclotetraconta-10,13,31,33-tetrayn-2-yl}methoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
- Bis(phosphoric acid 2-trimethylaminioethyl)(1,4,21,24-tetraoxacyclotetracontane-11,14,31,33-tetryne-2,23-diyl)bismethylene ester
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