carbon monoxide; iron(2+); methyl hexanoate; triphenylphosphane; hexafluorophosphate

Systemtic Name: carbon monoxide; iron(2+); methyl hexanoate; triphenylphosphane; hexafluorophosphate Openeye Name: ferrous; carbon monoxide; methyl hexanoate; triphenylphosphane; hexafluorophosphate CAS Name: carbon monoxide; hexanoic acid methyl ester; iron(2+); triphenylphosphine; hexafluorophosphate IUPAC Name: carbon monoxide; iron(2+); methyl hexanoate; triphenylphosphane; hexafluorophosphate Traditional Name: ferrous; carbon monoxide; hexanoic acid methyl ester; triphenylphosphine; hexafluorophosphate Formula: C27H24F6FeO4P2+ MolecularWeight: 644.260001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH][CH][CH][CH][CH2].[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+2]

Isomeric SMILES

COC(=O)[CH][CH][CH][CH][CH2].[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+2]

InChI

InChI=1S/C18H15P.C7H9O2.2CO.F6P.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-5-6-7(8)9-2;2*1-2;1-7(2,3,4,5)6;/h1-15H;3-6H,1H2,2H3;;;;/q;;;;-1;+2