Chem
J-GLOBAL ID:200907049413547660   Nikkaji number:J2.614.416G

2,8,14-Trimethoxy-5,11,17-tridodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene

2,8,14-トリメトキシ-5,11,17-トリドデシルヘキサベンゾ[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: C81H96O3
Molecular formula furigana: C81-H96-O3
Molecular weight: 1117.656
InChI: InChI=1S/C81H96O3/c1-7-10-13-16-19-22-25-28-31-34-37-52-40-58-64-46-55(82-4)48-66-60-42-53(38-35-32-29-26-23-20-17-14-11-8-2)44-62-68-50-57(84-6)51-69-63-45-54(39-36-33-30-27-24-21-18-15-12-9-3)43-61-67-49-56(83-5)47-65-59(41-52)70(58)76-79(73(64)66)77(71(60)62)81(75(68)69)78(72(61)63)80(76)74(65)67/h40-51H,7-39H2,1-6H3
InChI key: SAZPWSNIGVTNHV-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1cc2c3cc(OC)cc4c5cc(CCCCCCCCCCCC)cc6c7cc(OC)cc8c9cc(CCCCCCCCCCCC)cc%10c%11cc(OC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12
Systematic name  (3):
  • 2,8,14-トリメトキシ-5,11,17-トリドデシルヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 6,20,34-トリドデシル-11,25,39-トリメ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
  • 6,20,34-tridodecyl-11,25,39-trimethoxytridecacyclo[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-henicosaene
Other name (1):
  • 2,8,14-Trimethoxy-5,11,17-tridodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene
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