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Reference substances

Reference substances

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General information

Inventory

EC number:
417-310-0
EC name:
-
CAS number:
-
Description:
FRUCTALATE

No inventory information available

Reference substance information

IUPAC name:
1,4-diethyl cyclohexane-1,4-dicarboxylate
Synonyms
Names:
diethyl 1,4-cyclohexanedicarboxylate

CAS information

CAS number:
72903-27-6

Molecular and structural information

Molecular formula:
C12H20O4
Molecular weight:
ca. 228.29
SMILES notation:
O=C(OCC)C1CCC(C(OCC)=O)CC1
InChl:
InChI=1/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-16,14-16,15-16,16-16
Structural formula:
Chemical structure