Chem
J-GLOBAL ID:200907005704957809   Nikkaji number:J1.178.413E

2-[(1-Nitro-3,6,7,10,11-pentabutoxytriphenylene-2-yl)oxy]ethanol

2-[(1-ニトロ-3,6,7,10,11-ペンタブトキシトリフェニレン-2-イル)オキシ]エタノール
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: C40H55[N+]O8[O-]
Molecular formula furigana: C40-H55-N-O9
Molecular weight: 693.878
InChI: InChI=1S/C40H55NO9/c1-6-11-17-45-33-23-28-29-24-35(47-19-13-8-3)36(48-20-14-9-4)26-31(29)38-32(30(28)25-34(33)46-18-12-7-2)27-37(49-21-15-10-5)40(50-22-16-42)39(38)41(43)44/h23-27,42H,6-22H2,1-5H3
InChI key: VCZAIQPIFLLHLK-UHFFFAOYSA-N
SMILES: CCCCOc1cc2c3cc(OCCCC)c(OCCCC)cc3c3c(c(OCCO)c(OCCCC)cc3c2cc1OCCCC)[N+](=O)[O-]
Systematic name  (3):
  • 2-[(1-ニトロ-3,6,7,10,11-ペンタブトキシトリフェニレン-2-イル)オキシ]エタノール
  • 2-[(3,6,7,10,11-ペンタブトキシ-1-ニトロトリフェニレン-2-イル)オキシ]エタン-1-オール
  • 2-[(3,6,7,10,11-pentabutoxy-1-nitrotriphenylen-2-yl)oxy]ethan-1-ol
Other name (1):
  • 2-[(1-Nitro-3,6,7,10,11-pentabutoxytriphenylene-2-yl)oxy]ethanol
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