物質
J-GLOBAL ID：200907031516966826   日化辞番号：J1.731.796B

マロン酸ビス[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)ベンジル]

Malonic acid bis[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)benzyl] ester
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C89H58F102O4
分子式フリガナ： C89-H58-F102-O4
分子量： 3129.276
InChI： InChI=1S/C89H58F102O4/c90-42(91,48(102,103)54(114,115)60(126,127)66(138,139)72(150,151)78(162,163)84(174,175)176)19-7-1-13-34-25-32(26-35(14-2-8-20-43(92,93)49(104,105)55(116,117)61(128,129)67(140,141)73(152,153)79(164,165)85(177,178)179)38(34)17-5-11-23-46(98,99)52(110,111)58(122,123)64(134,135)70(146,147)76(158,159)82(170,171)88(186,187)188)30-194-40(192)29-41(193)195-31-33-27-36(15-3-9-21-44(94,95)50(106,107)56(118,119)62(130,131)68(142,143)74(154,155)80(166,167)86(180,181)182)39(18-6-12-24-47(100,101)53(112,113)59(124,125)65(136,137)71(148,149)77(160,161)83(172,173)89(189,190)191)37(28-33)16-4-10-22-45(96,97)51(108,109)57(120,121)63(132,133)69(144,145)75(156,157)81(168,169)87(183,184)185/h25-28H,1-24,29-31H2
InChI key： JRFBTXPQVZSSBB-UHFFFAOYSA-N
SMILES： FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCc1cc(COC(=O)CC(=O)OCc2cc(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)cc(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
体系名 (3件)：
  • マロン酸ビス[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)ベンジル]
  • 1,3-ビス{[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)フェニル]メチル} プロパンジオアート
  • 1,3-bis{[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)phenyl]methyl} propanedioate
その他の名称 (1件)：
  • Malonic acid bis[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)benzyl] ester
シソーラスmap：
シソーラスmap

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