Chem
J-GLOBAL ID:200907017252693882   Nikkaji number:J1.137.194I

2,3,6,7,10,11-Triphenylenehexol hexakis(4-nitrobenzoate)

2,3,6,7,10,11-トリフェニレンヘキサオールヘキサキス(4-ニトロベンゾアート)
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: C60H30[N+]6O18[O-]6
Molecular formula furigana: C60-H30-N6-O24
Molecular weight: 1218.918
InChI: InChI=1S/C60H30N6O24/c67-55(31-1-13-37(14-2-31)61(73)74)85-49-25-43-44(26-50(49)86-56(68)32-3-15-38(16-4-32)62(75)76)46-28-52(88-58(70)34-7-19-40(20-8-34)64(79)80)54(90-60(72)36-11-23-42(24-12-36)66(83)84)30-48(46)47-29-53(89-59(71)35-9-21-41(22-10-35)65(81)82)51(27-45(43)47)87-57(69)33-5-17-39(18-6-33)63(77)78/h1-30H
InChI key: OZTSNMVWHSLPDS-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)Oc1cc2c(cc1OC(=O)c1ccc(cc1)[N+](=O)[O-])c1cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c(OC(=O)c3ccc(cc3)[N+](=O)[O-])cc1c1cc(OC(=O)c3ccc(cc3)[N+](=O)[O-])c(OC(=O)c3ccc(cc3)[N+](=O)[O-])cc21
Systematic name  (3):
  • 2,3,6,7,10,11-トリフェニレンヘキサオールヘキサキス(4-ニトロベンゾアート)
  • 3,6,7,10,11-ペンタキス(4-ニトロベンゾイルオキシ)トリフェニレン-2-イル 4-ニトロベンゾアート
  • 3,6,7,10,11-pentakis(4-nitrobenzoyloxy)triphenylen-2-yl 4-nitrobenzoate
Other name (1):
  • 2,3,6,7,10,11-Triphenylenehexol hexakis(4-nitrobenzoate)
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