carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol

Systemtic Name: carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol Openeye Name: carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol CAS Name: carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol IUPAC Name: carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol Traditional Name: carbon monoxide; iron; (9S,10E,12E)-octadeca-10,12-diene-1,9-diol Formula: C21H34FeO5 MolecularWeight: 422.33666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC=CC(CCCCCCCCO)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCC/C=C/C=C/[C@H](CCCCCCCCO)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H34O2.3CO.Fe/c1-2-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19;3*1-2;/h6,9,12,15,18-20H,2-5,7-8,10-11,13-14,16-17H2,1H3;;;;/b9-6+,15-12+;;;;/t18-;;;;/m1..../s1