carbon monoxide; iron(2+); 2-phenylethynylcycloheptane; triphenyl phosphite

Systemtic Name: carbon monoxide; iron(2+); 2-phenylethynylcycloheptane; triphenyl phosphite Openeye Name: ferrous; carbon monoxide; 2-phenylethynylcycloheptane; triphenyl phosphite CAS Name: carbon monoxide; iron(2+); 2-phenylethynylcycloheptane; phosphorous acid triphenyl ester IUPAC Name: carbon monoxide; iron(2+); 2-phenylethynylcycloheptane; triphenyl phosphite Traditional Name: ferrous; carbon monoxide; 2-phenylethynylcycloheptane; phosphorous acid triphenyl ester Formula: C35H29FeO5P+ MolecularWeight: 616.420521

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1C[CH][CH][CH]C([CH-]1)C#CC2=CC=CC=C2.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1C[CH][CH][CH]C([CH-]1)C#CC2=CC=CC=C2.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/C18H15O3P.C15H14.2CO.Fe/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15;2*1-2;/h1-15H;1,3-4,6-11,14H,2,5H2;;;/q;-1;;;+2