Chem
J-GLOBAL ID：200907054839149169   Nikkaji number：J606.725E

Triisocyanate

トリイソシアナート
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： C32H32N4O5
Molecular formula furigana： C32-H32-N4-O5
Molecular weight： 552.631
InChI： InChI=1S/C32H32N4O5/c1-2-32(15-25-3-7-27(8-4-25)17-33-22-37,16-26-5-9-28(10-6-26)18-34-23-38)21-41-31(40)36-20-30-13-11-29(12-14-30)19-35-24-39/h3-14H,2,15-21H2,1H3,(H,36,40)
InChI key： CWLAYIOHAXWTNM-UHFFFAOYSA-N
SMILES： CCC(COC(=O)NCc1ccc(CN=C=O)cc1)(Cc1ccc(CN=C=O)cc1)Cc1ccc(CN=C=O)cc1
Systematic name  (3)：
  • [[4-(イソシアナトメチル)フェニル]メチル]カルバミド酸2,2-ビス[[4-(イソシアナトメチル)フェニル]メチル]ブチル
  • 2,2-ビス({[4-(イソシアナトメチル)フェニル]メチル})ブチル N-{[4-(イソシアナトメチル)フェニル]メチル}カルバマート
  • 2,2-bis({[4-(isocyanatomethyl)phenyl]methyl})butyl N-{[4-(isocyanatomethyl)phenyl]methyl}carbamate
Other name (3)：
  • トリイソシアナート
  • Triisocyanate
  • [[4-(Isocyanatomethyl)phenyl]methyl]carbamic acid 2,2-bis[[4-(isocyanatomethyl)phenyl]methyl]butyl ester
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