carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphane

Systemtic Name: carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphane Openeye Name: carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphane CAS Name: carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphine IUPAC Name: carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphane Traditional Name: carbon monoxide; iron; (5E)-2-methoxy-5-(2-phenylpropylidene)cyclohexa-1,3-diene; triphenylphosphine Formula: C36H33FeO3P MolecularWeight: 600.464181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CC=C(C=C1)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

Isomeric SMILES

CC(/C=C/1\CC=C(C=C1)OC)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

InChI

InChI=1S/C18H15P.C16H18O.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(15-6-4-3-5-7-15)12-14-8-10-16(17-2)11-9-14;2*1-2;/h1-15H;3-8,10-13H,9H2,1-2H3;;;/b;14-12-;;;