Chem
J-GLOBAL ID：200907001934962768   Nikkaji number：J2.413.438E

2,5-Didodecyl-11,14-bis[2-[2-[2-[(4,5,7-trinitro-9-oxo-9H-fluorene-2-yl)carbonyloxy]ethoxy]ethoxy]ethoxy]hexabenzo[bc,ef,hi,kl,no,qr]coronene

2,5-ジドデシル-11,14-ビス[2-[2-[2-[(4,5,7-トリニトロ-9-オキソ-9H-フルオレン-2-イル)カルボニルオキシ]エトキシ]エトキシ]エトキシ]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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： C106H96[N+]6O18[O-]6
Molecular formula furigana： C106-H96-N6-O24
Molecular weight： 1837.952
InChI： InChI=1S/C106H96N6O24/c1-3-5-7-9-11-13-15-17-19-21-25-59-43-71-67-27-23-29-69-75-55-65(133-39-35-129-31-33-131-37-41-135-105(115)61-47-79-93(83(49-61)109(121)122)95-81(103(79)113)51-63(107(117)118)53-85(95)111(125)126)57-77-78-58-66(134-40-36-130-32-34-132-38-42-136-106(116)62-48-80-94(84(50-62)110(123)124)96-82(104(80)114)52-64(108(119)120)54-86(96)112(127)128)56-76-70-30-24-28-68-72-44-60(26-22-20-18-16-14-12-10-8-6-4-2)46-74-73(45-59)89(71)99-97(87(67)69)101(91(75)77)102(92(76)78)98(88(68)70)100(99)90(72)74/h23-24,27-30,43-58H,3-22,25-26,31-42H2,1-2H3
InChI key： MAVVIAGDVKMIKT-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1cc2c3cccc4c5cc(OCCOCCOCCOC(=O)c6cc7C(=O)c8cc(cc(c8c7c(c6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc6c7cc(OCCOCCOCCOC(=O)c8cc9C(=O)c%10cc(cc(c%10c9c(c8)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc8c9cccc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (3)：
  • 2,5-ジドデシル-11,14-ビス[2-[2-[2-[(4,5,7-トリニトロ-9-オキソ-9H-フルオレン-2-イル)カルボニルオキシ]エトキシ]エトキシ]エトキシ]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 2-[2-(2-{[25,34-ジドデシル-11-(2-{2-[2-(4,5,7-トリニトロ-9-オキソ-9H-フルオレン-2-カルボニルオキシ)エトキシ]エトキシ}エトキシ)トリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン-6-イル]オキシ}エトキシ)エトキシ]エチル 4,5,7-トリニトロ-9-オキソ-9H-フルオレン-2-カルボキシラート
  • 2-[2-(2-{[25,34-didodecyl-11-(2-{2-[2-(4,5,7-trinitro-9-oxo-9H-fluorene-2-carbonyloxy)ethoxy]ethoxy}ethoxy)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaen-6-yl]oxy}ethoxy)ethoxy]ethyl 4,5,7-trinitro-9-oxo-9H-fluorene-2-carboxylate
Other name (1)：
  • 2,5-Didodecyl-11,14-bis[2-[2-[2-[(4,5,7-trinitro-9-oxo-9H-fluorene-2-yl)carbonyloxy]ethoxy]ethoxy]ethoxy]hexabenzo[bc,ef,hi,kl,no,qr]coronene
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