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Reference substances

Reference substances

IUPAC name:
3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid

Inventory

EC number:
225-833-9
EC name:
2-oxocyclohexane-1,1,3,3-tetrapropionic acid
CAS number:
5107-67-5
CAS number:
5107-67-5
Synonyms
Names:
1,1,3,3-Cyclohexanetetrapropanoic acid, 2-oxo-
3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanoic acid

Molecular and structural information

Molecular formula:
C18H26O9
Molecular weight:
386.394
SMILES notation:
OC(=O)CCC1(CCC(=O)O)CCCC(CCC(=O)O)(CCC(=O)O)C1=O
InChl:
InChI=1/C18H26O9/c19-12(20)2-8-17(9-3-13(21)22)6-1-7-18(16(17)27,10-4-14(23)24)11-5-15(25)26/h1-11H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
Structural formula:
Chemical structure

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