93939-82-3 Purity
96%
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The molecular formula is C27H54CeO6.
The molecular weight is 614.8 g/mol.
The synonyms are EINECS 300-377-4 and 93939-87-8.
The component compounds are cerium, 2-Ethylhexanoic acid, isononanoic acid, and neodecanoic acid.
The IUPAC name is cerium;7,7-dimethyloctanoic acid;2-ethylhexanoic acid;7-methyloctanoic acid.
The InChI is InChI=1S/C10H20O2.C9H18O2.C8H16O2.Ce/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10);
The InChIKey is LIYOYELDURVPDH-UHFFFAOYSA-N.
The canonical SMILES is CCCCC(CC)C(=O)O.CC(C)CCCCCC(=O)O.CC(C)(C)CCCCCC(=O)O.[Ce].
The CAS number is 93939-87-8.
Yes, it is a canonicalized compound.