carbon monoxide; iron(2+); 1-phenyl-4-(2-phenylethynyl)cycloheptane; triphenyl phosphite

Systemtic Name: carbon monoxide; iron(2+); 1-phenyl-4-(2-phenylethynyl)cycloheptane; triphenyl phosphite Openeye Name: ferrous; carbon monoxide; 1-phenyl-4-(2-phenylethynyl)cycloheptane; triphenyl phosphite CAS Name: carbon monoxide; iron(2+); 1-phenyl-4-(2-phenylethynyl)cycloheptane; phosphorous acid triphenyl ester IUPAC Name: carbon monoxide; iron(2+); 1-phenyl-4-(2-phenylethynyl)cycloheptane; triphenyl phosphite Traditional Name: ferrous; carbon monoxide; 1-phenyl-4-(2-phenylethynyl)cycloheptane; phosphorous acid triphenyl ester Formula: C41H36FeO5P+ MolecularWeight: 695.540301

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1CC(C[CH-]C(C1)C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1CC(C[CH-]C(C1)C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe+2]

InChI

InChI=1S/C21H21.C18H15O3P.2CO.Fe/c1-3-8-18(9-4-1)14-15-19-10-7-13-21(17-16-19)20-11-5-2-6-12-20;1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;2*1-2;/h1-6,8-9,11-12,16,19,21H,7,10,13,17H2;1-15H;;;/q-1;;;;+2