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Reference substances

Reference substances

IUPAC name:
tetradecyl 3-[(4-{6-tert-butyl-7-chloro-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl}phenyl)carbamoyl]propanoate

Inventory

EC number:
412-600-3
EC name:
-
CAS number:
-
Description:
CIN 10084241; FC 102; UM 234 B; UM-234
CAS number:
152827-98-0
Synonyms
Names:
Tetradecyl 4'-(6-tert-butyl-7-chloro-3H-pyrazolo[1,5- b][1,2,4]triazol-2-yl)succinanilate

Molecular and structural information

Molecular formula:
C32H48ClN5O3
Molecular weight:
586.216
SMILES notation:
O=C(OCCCCCCCCCCCCCC)CCC(NC1=CC=C(C2=NN3C(N2)=C(Cl)C(C(C)(C)C)=N3)C=C1)=O
InChl:
InChI=1S/C32H48ClN5O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-41-27(40)22-21-26(39)34-25-19-17-24(18-20-25)30-35-31-28(33)29(32(2,3)4)36-38(31)37-30/h17-20H,5-16,21-23H2,1-4H3,(H,34,39)(H,35,37)
Structural formula:
Chemical structure

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