(2E,4E)-hexa-2,4-dienoate; iron(3+)

Systemtic Name: (2E,4E)-hexa-2,4-dienoate; iron(3+) Openeye Name: ferric (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoate; iron(3+) IUPAC Name: (2E,4E)-hexa-2,4-dienoate; iron(3+) Traditional Name: ferric trisorbate Formula: C18H21FeO6 MolecularWeight: 389.20074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Fe+3]

Isomeric 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]

InChI

InChI=1S/3C6H8O2.Fe/c3*1-2-3-4-5-6(7)8;/h3*2-5H,1H3,(H,7,8);/q;;;+3/p-3/b3*3-2+,5-4+;