Chem
J-GLOBAL ID:200907051556273506
Nikkaji number:J2.463.472H
2,2′-(4a,5,6,7,8,8a-Hexahydroquinoxaline-2,3-diyl)bis[1-(1,3-benzodioxole-5-yl)ethanol]
2,2′-(4a,5,6,7,8,8a-ヘキサヒドロキノキサリン-2,3-ジイル)ビス[1-(1,3-ベンゾジオキソール-5-イル)エタノール]
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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:
C26 H28 N2 O6
Molecular formula furigana:
C26-H28-N2-O6
Molecular weight:
464.518
InChI:
InChI=1S/C26H28N2O6/c29-21(15-5-7-23-25(9-15)33-13-31-23)11-19-20(28-18-4-2-1-3-17(18)27-19)12-22(30)16-6-8-24-26(10-16)34-14-32-24/h5-10,17-18,21-22,29-30H,1-4,11-14H2
InChI key:
CHMYFIWHVANSQF-UHFFFAOYSA-N
SMILES:
OC(CC1=NC2CCCCC2N=C1CC(O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Systematic name (3):
2,2′-(4a,5,6,7,8,8a-ヘキサヒドロキノキサリン-2,3-ジイル)ビス[1-(1,3-ベンゾジオキソール-5-イル)エタノール]
1-(2H-1,3-ベンゾジオキソール-5-イル)-2-{3-[2-(2H-1,3-ベンゾジオキソール-5-イル)-2-ヒドロキシエチル]-4a,5,6,7,8,8a-ヘキサヒドロキノキサリン-2-イル}エタン-1-オール
1-(2H-1,3-benzodioxol-5-yl)-2-{3-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4a,5,6,7,8,8a-hexahydroquinoxalin-2-yl}ethan-1-ol
Other name (1):
2,2′-(4a,5,6,7,8,8a-Hexahydroquinoxaline-2,3-diyl)bis[1-(1,3-benzodioxole-5-yl)ethanol]
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