Chem
J-GLOBAL ID：201707018174376106   Nikkaji number：J3.578.537J

HAD-13a

5-(オクタノイルアミノ)-2,4,6-トリヨードイソフタル酸
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： C16H18I3NO5
Molecular formula furigana： C16-H18-I3-N-O5
Molecular weight： 685.035
InChI： InChI=1S/C16H18I3NO5/c1-2-3-4-5-6-7-8(21)20-14-12(18)9(15(22)23)11(17)10(13(14)19)16(24)25/h2-7H2,1H3,(H,20,21)(H,22,23)(H,24,25)
InChI key： STMIUHPXRYKWPU-UHFFFAOYSA-N
SMILES： CCCCCCCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I
Systematic name  (3)：
  • 5-(オクタノイルアミノ)-2,4,6-トリヨードイソフタル酸
  • 2,4,6-トリヨード-5-オクタンアミドベンゼン-1,3-ジカルボン酸
  • 2,4,6-triiodo-5-octanamidobenzene-1,3-dicarboxylic acid
Other name (2)：
  • 5-(Octanoylamino)-2,4,6-triiodoisophthalic acid
  • HAD-13a
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