iron(3+); (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: iron(3+); (9E,12E)-octadeca-9,12-dienoate Openeye Name: ferric (9E,12E)-octadeca-9,12-dienoate CAS Name: iron(3+); (9E,12E)-octadeca-9,12-dienoate IUPAC Name: iron(3+); (9E,12E)-octadeca-9,12-dienoate Traditional Name: ferric (9E,12E)-octadeca-9,12-dienoate Formula: C54H93FeO6 MolecularWeight: 894.15762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-].[Fe+3]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].[Fe+3]

InChI

InChI=1S/3C18H32O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*7-6+,10-9+;