carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphane; hexafluorophosphate

Systemtic Name: carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphane; hexafluorophosphate Openeye Name: carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphane; hexafluorophosphate CAS Name: carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphine; hexafluorophosphate IUPAC Name: carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphane; hexafluorophosphate Traditional Name: carbon monoxide; iron; methoxymethylcyclooctane; triphenylphosphine; hexafluorophosphate Formula: C30H30F6FeO3P2- MolecularWeight: 670.340341

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[CH][CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

COCC1CC[CH][CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C18H15P.C10H15O.2CO.F6P.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-9-10-7-5-3-2-4-6-8-10;2*1-2;1-7(2,3,4,5)6;/h1-15H;2-5,7,10H,6,8-9H2,1H3;;;;/q;;;;-1;