Chem
J-GLOBAL ID:200907077441001358   Nikkaji number:J1.228.217F

7,16-Bis(2-hydroxy-3-formyl-5-bromobenzyl)1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7,16-ビス(2-ヒドロキシ-3-ホルミル-5-ブロモベンジル)1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
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: C28H36Br2N2O8
Molecular formula furigana: C28-H36-BR2-N2-O8
Molecular weight: 688.410
InChI: InChI=1S/C28H36Br2N2O8/c29-25-13-21(27(35)23(15-25)19-33)17-31-1-5-37-9-10-39-7-3-32(4-8-40-12-11-38-6-2-31)18-22-14-26(30)16-24(20-34)28(22)36/h13-16,19-20,35-36H,1-12,17-18H2
InChI key: AFVFAPLSDLUTTG-UHFFFAOYSA-N
SMILES: Oc1c(CN2CCOCCOCCN(Cc3cc(Br)cc(C=O)c3O)CCOCCOCC2)cc(Br)cc1C=O
Systematic name  (3):
  • 7,16-ビス(2-ヒドロキシ-3-ホルミル-5-ブロモベンジル)1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
  • 5-ブロモ-3-({16-[(5-ブロモ-3-ホルミル-2-ヒドロキシフェニル)メチル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン-7-イル}メチル)-2-ヒドロキシベンズアルデヒド
  • 5-bromo-3-({16-[(5-bromo-3-formyl-2-hydroxyphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}methyl)-2-hydroxybenzaldehyde
Other name (1):
  • 7,16-Bis(2-hydroxy-3-formyl-5-bromobenzyl)1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
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