Chem
J-GLOBAL ID：200907013253325547
Nikkaji number：J406.537I
2,2′,2′′-[[(Propane-1,2,3-triyltrisoxy)tris(1-hexyl-12-oxo-3-dodecene-12,1-diyl)]trisoxy]tris(N,N-dimethyl-N-octadecyl-2-oxoethanaminium)
2,2′,2′′-[[(プロパン-1,2,3-トリイルトリスオキシ)トリス(1-ヘキシル-12-オキソ-3-ドデセン-12,1-ジイル)]トリスオキシ]トリス(N,N-ジメチル-N-オクタデシル-2-オキソエタンアミニウム)
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： C123H236[N+]3O12
Molecular formula furigana： C123-H236-N3-O12
Molecular weight： 1949.248
InChI：
InChI=1S/C123H236N3O12/c1-13-19-25-31-34-37-40-43-46-49-52-55-64-73-82-94-106-124(7,8)109-121(130)135-114(97-85-28-22-16-4)100-88-76-67-58-61-70-79-91-103-118(127)133-112-117(138-120(129)105-93-81-72-63-60-69-78-90-102-116(99-87-30-24-18-6)137-123(132)111-126(11,12)108-96-84-75-66-57-54-51-48-45-42-39-36-33-27-21-15-3)113-134-119(128)104-92-80-71-62-59-68-77-89-101-115(98-86-29-23-17-5)136-122(131)110-125(9,10)107-95-83-74-65-56-53-50-47-44-41-38-35-32-26-20-14-2/h76-78,88-90,114-117H,13-75,79-87,91-113H2,1-12H3/q+3
InChI key：
TXJUYOUPKUMAOV-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)OC(CCCCCC)CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC(CCCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC
Systematic name (3)：
- 2,2′,2′′-[[(プロパン-1,2,3-トリイルトリスオキシ)トリス(1-ヘキシル-12-オキソ-3-ドデセン-12,1-ジイル)]トリスオキシ]トリス(N,N-ジメチル-N-オクタデシル-2-オキソエタンアミニウム)
- [2-({18-[2,3-ビス({[12-({2-[ジメチル(オクタデシル)アザニウミル]アセチル}オキシ)オクタデカ-9-エノイル]オキシ})プロポキシ]-18-オキソオクタデカ-9-エン-7-イル}オキシ)-2-オキソエチル]ジメチルオクタデシルアザニウム
- [2-({18-[2,3-bis({[12-({2-[dimethyl(octadecyl)azaniumyl]acetyl}oxy)octadec-9-enoyl]oxy})propoxy]-18-oxooctadec-9-en-7-yl}oxy)-2-oxoethyl]dimethyloctadecylazanium
- 2,2′,2′′-[[(Propane-1,2,3-triyltrisoxy)tris(1-hexyl-12-oxo-3-dodecene-12,1-diyl)]trisoxy]tris(N,N-dimethyl-N-octadecyl-2-oxoethanaminium)
Return to Previous Page
