Chem
J-GLOBAL ID：200907077856564145
Nikkaji number：J1.722.958C
25,26,27,28-Tetrakis(benzyloxy)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-dicarbonitrile
25,26,27,28-テトラキス(ベンジルオキシ)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-ジカルボニトリル
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： C58H46N2O4
Molecular formula furigana： C58-H46-N2-O4
Molecular weight： 835.016
InChI：
InChI=1S/C58H46N2O4/c59-35-45-27-51-31-47-23-13-24-48(55(47)61-37-41-15-5-1-6-16-41)32-52-28-46(36-60)30-54(58(52)64-40-44-21-11-4-12-22-44)34-50-26-14-25-49(56(50)62-38-42-17-7-2-8-18-42)33-53(29-45)57(51)63-39-43-19-9-3-10-20-43/h1-30H,31-34,37-40H2
InChI key：
BHMAFZAKLYRVJS-UHFFFAOYSA-N
SMILES：
N#Cc1cc2Cc3cccc(Cc4cc(cc(Cc5cccc(Cc(c1)c2OCc1ccccc1)c5OCc1ccccc1)c4OCc1ccccc1)C#N)c3OCc1ccccc1
Systematic name (2)：
- 25,26,27,28-テトラキス(ベンジルオキシ)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-ジカルボニトリル
- 25,26,27,28-tetrakis(benzyloxy)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-dodecaene-5,17-dicarbonitrile
- 25,26,27,28-Tetrakis(benzyloxy)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-dicarbonitrile
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