Chem
J-GLOBAL ID:200907001891425151   Nikkaji number:J1.490.371B

(4aα,8aα,9aα,10aα)-9,10-Bis(trifluoromethyl)tetradecahydro-N,N′-[[2,5-bis(bromomethyl)-p-phenylene]bismethylene]-1β,4β:5β,8β-dimethano-9β,10β-epoxyanthracene-2α,3α:6α,7α-bis(dicarbimide)

(4aα,8aα,9aα,10aα)-9,10-ビス(トリフルオロメチル)テトラデカヒドロ-N,N′-[[2,5-ビス(ブロモメチル)-p-フェニレン]ビスメチレン]-1β,4β:5β,8β-ジメタノ-9β,10β-エポキシアントラセン-2α,3α:6α,7α-ビス(ジカルボイミド)
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: C32H26Br2F6N2O5
Molecular formula furigana: C32-H26-BR2-F6-N2-O5
Molecular weight: 792.367
InChI: InChI=1S/C32H26Br2F6N2O5/c33-5-9-1-11-7-41-25(43)17-13-3-14(18(17)26(41)44)22-21(13)29(31(35,36)37)23-15-4-16(24(23)30(22,47-29)32(38,39)40)20-19(15)27(45)42(28(20)46)8-12(9)2-10(11)6-34/h1-2,13-24H,3-8H2/t13-,14+,15+,16-,17-,18+,19+,20-,21-,22+,23+,24-,29-,30-
InChI key: ICHLOXCDBFUCRE-JICHORHQSA-N
SMILES: FC(F)(F)[C@]12O[C@@]3([C@H]4[C@H]5C[C@H]([C@@H]6[C@H]5C(=O)N(Cc5cc(CBr)c(CN7C(=O)[C@H]8[C@@H]9C[C@H]([C@H]8C7=O)[C@@H]3[C@@H]19)cc5CBr)C6=O)[C@@H]24)C(F)(F)F
Systematic name  (3):
  • (4aα,8aα,9aα,10aα)-9,10-ビス(トリフルオロメチル)テトラデカヒドロ-N,N′-[[2,5-ビス(ブロモメチル)-p-フェニレン]ビスメチレン]-1β,4β:5β,8β-ジメタノ-9β,10β-エポキシアントラセン-2α,3α:6α,7α-ビス(ジカルボイミド)
  • (5R,6S,7R,9S,10R,11S,12s,14R,15S,16R,17S,19R,20S,21R)-26,28-ビス(ブロモメチル)-12,14-ビス(トリフルオロメチル)-13-オキサ-3,23-ジアザデカシクロ[23.2.2.13,6.120,23.05,9.07,11.010,14.012,16.015,19.017,21]ヘントリアコンタ-1(27),25,28-トリエン-4,22,30,31-テトラオン
  • (5R,6S,7R,9S,10R,11S,12s,14R,15S,16R,17S,19R,20S,21R)-26,28-bis(bromomethyl)-12,14-bis(trifluoromethyl)-13-oxa-3,23-diazadecacyclo[23.2.2.13,6.120,23.05,9.07,11.010,14.012,16.015,19.017,21]hentriaconta-1(27),25,28-triene-4,22,30,31-tetrone
Other name (1):
  • (4aα,8aα,9aα,10aα)-9,10-Bis(trifluoromethyl)tetradecahydro-N,N′-[[2,5-bis(bromomethyl)-p-phenylene]bismethylene]-1β,4β:5β,8β-dimethano-9β,10β-epoxyanthracene-2α,3α:6α,7α-bis(dicarbimide)
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