IUPAC Name
2-ethylhexanoate;iron(2+)
Molecular Weight
342.25g/mol
Molecular Formula
C16H30FeO4
Canonical SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Fe+2]
InChI
InChI=1S/2C8H16O2.Fe/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChI Key
SMSVUYQRWYTTLI-UHFFFAOYSA-L
Complexity
93.9
Covalently-Bonded Unit Count
3
EC Number
243-169-8;301-090-7
Exact Mass
342.149345g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
21
Monoisotopic Mass
342.149345g/mol
Rotatable Bond Count
8
