Chem
J-GLOBAL ID：200907061450251568   Nikkaji number：J1.995.852C

Bis[3-(triethylgermyl)propanoic acid][25,26,27,28-tetrakis(tosyloxy)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-diyl]bisethylene ester

ビス[3-(トリエチルゲルミル)プロパン酸][25,26,27,28-テトラキス(トシルオキシ)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]ビスエチレン
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： C78H92Ge2O16S4
Molecular formula furigana： C78-H92-GE2-O16-S4
Molecular weight： 1559.080
InChI： InChI=1S/C78H92Ge2O16S4/c1-11-79(12-2,13-3)43-39-73(81)91-45-41-59-47-65-51-61-19-17-21-63(75(61)93-97(83,84)69-31-23-55(7)24-32-69)53-67-49-60(42-46-92-74(82)40-44-80(14-4,15-5)16-6)50-68(78(67)96-100(89,90)72-37-29-58(10)30-38-72)54-64-22-18-20-62(76(64)94-98(85,86)70-33-25-56(8)26-34-70)52-66(48-59)77(65)95-99(87,88)71-35-27-57(9)28-36-71/h17-38,47-50H,11-16,39-46,51-54H2,1-10H3
InChI key： BBYKVDVBAJMLOP-UHFFFAOYSA-N
SMILES： CC[Ge](CC)(CC)CCC(=O)OCCc1cc2Cc3cccc(Cc4cc(CCOC(=O)CC[Ge](CC)(CC)CC)cc(Cc5cccc(Cc(c1)c2OS(=O)(=O)c1ccc(C)cc1)c5OS(=O)(=O)c1ccc(C)cc1)c4OS(=O)(=O)c1ccc(C)cc1)c3OS(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • ビス[3-(トリエチルゲルミル)プロパン酸][25,26,27,28-テトラキス(トシルオキシ)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]ビスエチレン
  • 2-{25,26,27,28-テトラキス[(4-メチルベンゼンスルホニル)オキシ]-17-(2-{[3-(トリエチルゲルミル)プロパノイル]オキシ}エチル)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}エチル 3-(トリエチルゲルミル)プロパノアート
  • 2-{25,26,27,28-tetrakis[(4-methylbenzenesulfonyl)oxy]-17-(2-{[3-(triethylgermyl)propanoyl]oxy}ethyl)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}ethyl 3-(triethylgermyl)propanoate
Other name (1)：
  • Bis[3-(triethylgermyl)propanoic acid][25,26,27,28-tetrakis(tosyloxy)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-diyl]bisethylene ester
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