iron(3+); (Z,12R)-12-oxidanyloctadec-9-enoate

Systemtic Name: iron(3+); (Z,12R)-12-oxidanyloctadec-9-enoate Openeye Name: ferric (Z,12R)-12-hydroxyoctadec-9-enoate CAS Name: (Z,12R)-12-hydroxy-9-octadecenoate; iron(3+) IUPAC Name: (Z,12R)-12-hydroxyoctadec-9-enoate; iron(3+) Traditional Name: ferric (Z,12R)-12-hydroxyoctadec-9-enoate Formula: C54H99FeO9 MolecularWeight: 948.20346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].[Fe+3]

InChI

InChI=1S/3C18H34O3.Fe/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;+3/p-3/b3*12-9-;/t3*17-;/m111./s1