Basic information
- CAS
57898-49-4- Standard SMILES
C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Fe+3]- InChIKey
JDGVJYQRQXQHSZ-KWYLWIMLSA-K- Molecular formula
- C18H21FeO6
- Average molar mass
- 389.2 g/mol
- Monoisotopic mass
- 389.068749
Names & identifiers
- Preferred name
- Iron(3+) (E,E)-hexa-2,4-dienoate
- IUPAC
- tris((2E,4E)-hexa-2,4-dienoate);iron(3+)
- English name
- iron(3+) (E,E)-hexa-2,4-dienoate
- Molecular formula
- C18H21FeO6
- Molecular weight
- 389.20074
Names & synonyms
EINECS 261-007-4Iron(3+) (E,E)-hexa-2,4-dienoate57898-49-4SCHEMBL9396138NS00087287Tris[(2E,4E)-2,4-hexadienoic acid]iron(III) salt
Database identifiers
- CAS
57898-49-4- PubChem CID
- 6453545
- EC Number
- 261-007-4
- Nikkaji
- J296.818E
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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