carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; triphenyl phosphite

Systemtic Name: carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; triphenyl phosphite Openeye Name: carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; triphenyl phosphite CAS Name: carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; phosphorous acid triphenyl ester IUPAC Name: carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; triphenyl phosphite Traditional Name: carbon monoxide; iron; 5-phenylcyclohepta-1,3-diene; phosphorous acid triphenyl ester Formula: C33H29FeO5P MolecularWeight: 592.399121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15O3P.C13H14.2CO.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;1-2-5-9-12(8-4-1)13-10-6-3-7-11-13;2*1-2;/h1-15H;1-4,6-8,10-12H,5,9H2;;;