Chem
J-GLOBAL ID：200907086515436784   Nikkaji number：J1.722.964H

2,2′,2′′,2′′′-[5,17-Dicyanopentacyclo[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-25,26,27,28-tetryltetrakis(oxy)]tetraacetic acid tetra-tert-butyl ester

2,2′,2′′,2′′′-[5,17-ジシアノペンタシクロ[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-25,26,27,28-テトライルテトラキス(オキシ)]四酢酸テトラ-tert-ブチル
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： C54H62N2O12
Molecular formula furigana： C54-H62-N2-O12
Molecular weight： 931.092
InChI： InChI=1S/C54H62N2O12/c1-51(2,3)65-43(57)29-61-47-35-15-13-16-36(47)24-40-20-34(28-56)22-42(50(40)64-32-46(60)68-54(10,11)12)26-38-18-14-17-37(48(38)62-30-44(58)66-52(4,5)6)25-41-21-33(27-55)19-39(23-35)49(41)63-31-45(59)67-53(7,8)9/h13-22H,23-26,29-32H2,1-12H3
InChI key： XMDRXRYEFJVOFK-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)COc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5OCC(=O)OC(C)(C)C)C#N)c4OCC(=O)OC(C)(C)C)c3OCC(=O)OC(C)(C)C)C#N
Systematic name  (3)：
  • 2,2′,2′′,2′′′-[5,17-ジシアノペンタシクロ[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-25,26,27,28-テトライルテトラキス(オキシ)]四酢酸テトラ-tert-ブチル
  • tert-ブチル 2-({26,27,28-トリス[2-(tert-ブトキシ)-2-オキソエトキシ]-5,17-ジシアノペンタシクロ[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-25-イル}オキシ)アセタート
  • tert-butyl 2-({26,27,28-tris[2-(tert-butoxy)-2-oxoethoxy]-5,17-dicyanopentacyclo[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-25-yl}oxy)acetate
Other name (1)：
  • 2,2′,2′′,2′′′-[5,17-Dicyanopentacyclo[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-25,26,27,28-tetryltetrakis(oxy)]tetraacetic acid tetra-tert-butyl ester
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