Chem
J-GLOBAL ID:200907017621331140   Nikkaji number:J2.743.556D

1,1′-(2-Methyl-1,3-phenylene)-4,4′-[hexamethylenebis(carbonyloxymethylene)]bis(1H-1,2,3-triazole)

1,1′-(2-メチル-1,3-フェニレン)-4,4′-[ヘキサメチレンビス(カルボニルオキシメチレン)]ビス(1H-1,2,3-トリアゾール)
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: C21H24N6O4
Molecular formula furigana: C21-H24-N6-O4
Molecular weight: 424.461
InChI: InChI=1S/C21H24N6O4/c1-15-18-7-6-8-19(15)27-12-17(23-25-27)14-31-21(29)10-5-3-2-4-9-20(28)30-13-16-11-26(18)24-22-16/h6-8,11-12H,2-5,9-10,13-14H2,1H3
InChI key: HZJVMYBEFOOUHC-UHFFFAOYSA-N
SMILES: Cc1c2cccc1n1cc(COC(=O)CCCCCCC(=O)OCc3cn2nn3)nn1
Systematic name  (3):
  • 1,1′-(2-メチル-1,3-フェニレン)-4,4′-[ヘキサメチレンビス(カルボニルオキシメチレン)]ビス(1H-1,2,3-トリアゾール)
  • 26-メチル-7,16-ジオキサ-2,3,4,19,20,21-ヘキサアザテトラシクロ[20.3.1.12,5.118,21]オクタコサ-1(26),3,5(28),18(27),19,22,24-ヘプタエン-8,15-ジオン
  • 26-methyl-7,16-dioxa-2,3,4,19,20,21-hexaazatetracyclo[20.3.1.12,5.118,21]octacosa-1(26),3,5(28),18(27),19,22,24-heptaene-8,15-dione
Other name (1):
  • 1,1′-(2-Methyl-1,3-phenylene)-4,4′-[hexamethylenebis(carbonyloxymethylene)]bis(1H-1,2,3-triazole)
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