Chem
J-GLOBAL ID:200907017674504730   Nikkaji number:J1.125.148J

Nonacyclo[36.2.2.28,11.218,21.228,31.02,37.07,12.017,22.027,32]octatetracontane-2(37),7(12),17(22),27(32)-tetrene-3,5,13,15,23,25,33,35-octyne

ノナシクロ[36.2.2.28,11.218,21.228,31.02,37.07,12.017,22.027,32]オクタテトラコンタン-2(37),7(12),17(22),27(32)-テトラエン-3,5,13,15,23,25,33,35-オクタイン
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: C48H40
Molecular formula furigana: C48-H40
Molecular weight: 616.848
InChI: InChI=1S/C48H40/c1-2-10-42-34-21-23-36(24-22-34)44(42)12-5-6-14-46-38-29-31-40(32-30-38)48(46)16-8-7-15-47-39-27-25-37(26-28-39)45(47)13-4-3-11-43-35-19-17-33(18-20-35)41(43)9-1/h33-40H,17-32H2
InChI key: DUBZDUZUOQLSPY-UHFFFAOYSA-N
SMILES: C1CC2CCC1C1=C2C#CC#CC2=C(C#CC#CC3=C(C#CC#CC4=C(C#CC#C1)C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
Systematic name  (1):
  • ノナシクロ[36.2.2.28,11.218,21.228,31.02,37.07,12.017,22.027,32]オクタテトラコンタン-2(37),7(12),17(22),27(32)-テトラエン-3,5,13,15,23,25,33,35-オクタイン
Other name (1):
  • Nonacyclo[36.2.2.28,11.218,21.228,31.02,37.07,12.017,22.027,32]octatetracontane-2(37),7(12),17(22),27(32)-tetrene-3,5,13,15,23,25,33,35-octyne
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