cerium(3+); iron(3+); (E)-octadec-9-enoate

Systemtic Name: cerium(3+); iron(3+); (E)-octadec-9-enoate Openeye Name: ferric; cerium(3+); (E)-octadec-9-enoate CAS Name: cerium(3+); iron(3+); (E)-9-octadecenoate IUPAC Name: cerium(3+); iron(3+); (E)-octadec-9-enoate Traditional Name: ferric; cerium(3+); (E)-octadec-9-enoate Formula: C108H198CeFeO12 MolecularWeight: 1884.68152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C18H34O2.Ce.Fe/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h6*9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;;;;;;2*+3/p-6/b6*10-9+;;