carbon monoxide; iron; methyl hexanoate; triphenylphosphane

Systemtic Name: carbon monoxide; iron; methyl hexanoate; triphenylphosphane Openeye Name: carbon monoxide; iron; methyl hexanoate; triphenylphosphane CAS Name: carbon monoxide; hexanoic acid methyl ester; iron; triphenylphosphine IUPAC Name: carbon monoxide; iron; methyl hexanoate; triphenylphosphane Traditional Name: carbon monoxide; hexanoic acid methyl ester; iron; triphenylphosphine Formula: C27H24FeO4P MolecularWeight: 499.295821

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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.[Fe]

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.[Fe]

InChI

InChI=1S/C18H15P.C7H9O2.2CO.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;/h1-15H;3-6H,1H2,2H3;;;