Chem
J-GLOBAL ID：200907061107855385
Nikkaji number：J1.169.962F
1,1′-[25,26,27,28-Tetrakis(dodecyloxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diylbismethylene]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]
1,1′-[25,26,27,28-テトラキス(ドデシルオキシ)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジイルビスメチレン]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン]
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： C84H126N6O10
Molecular formula furigana： C84-H126-N6-O10
Molecular weight： 1379.964
InChI：
InChI=1S/C84H126N6O10/c1-5-9-13-17-21-25-29-33-37-41-51-97-75-67-47-45-48-68(75)60-72-56-66(64-90-83(95)87-80(92)88-84(90)96)58-74(78(72)100-54-44-40-36-32-28-24-20-16-12-8-4)62-70-50-46-49-69(76(70)98-52-42-38-34-30-26-22-18-14-10-6-2)61-73-57-65(63-89-81(93)85-79(91)86-82(89)94)55-71(59-67)77(73)99-53-43-39-35-31-27-23-19-15-11-7-3/h45-50,55-58H,5-44,51-54,59-64H2,1-4H3,(H2,85,86,91,93,94)(H2,87,88,92,95,96)
InChI key：
VIDPIQZWSBEFNM-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCOc1c2Cc3cc(Cn4c(=O)[nH]c(=O)[nH]c4=O)cc(Cc4cccc(Cc5cc(Cn6c(=O)[nH]c(=O)[nH]c6=O)cc(Cc1ccc2)c5OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)c3OCCCCCCCCCCCC
Systematic name (3)：
- 1,1′-[25,26,27,28-テトラキス(ドデシルオキシ)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジイルビスメチレン]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン]
- 1-{[25,26,27,28-テトラキス(ドデシルオキシ)-17-[(2,4,6-トリオキソ-1,3,5-トリアジナン-1-イル)メチル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5-イル]メチル}-1,3,5-トリアジナン-2,4,6-トリオン
- 1-{[25,26,27,28-tetrakis(dodecyloxy)-17-[(2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-5-yl]methyl}-1,3,5-triazinane-2,4,6-trione
- 1,1′-[25,26,27,28-Tetrakis(dodecyloxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diylbismethylene]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]
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