cyclopenta-1,3-diene; iron; 6-[[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ruthenium(6+); triphenylphosphanium; dicyanide

Systemtic Name: cyclopenta-1,3-diene; iron; 6-[[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ruthenium(6+); triphenylphosphanium; dicyanide Openeye Name: cyclopenta-1,3-diene; iron; 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; ruthenium(6+); triphenylphosphonium; dicyanide CAS Name: cyclopenta-1,3-diene; iron; 6-[[2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone; ruthenium(6+); triphenylphosphonium; dicyanide IUPAC Name: cyclopenta-1,3-diene; iron; 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ruthenium(6+); triphenylphosphanium; dicyanide Traditional Name: cyclopenta-1,3-diene; iron; 6-[[2-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylene]cyclohexa-2,4-dien-1-one; ruthenium(6+); triphenylphosphonium; dicyanide Formula: C100H90FeN4O2P4Ru2+12 MolecularWeight: 1761.690244

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.[Fe].[Ru+6].[Ru+6]

Isomeric SMILES

[C-]#N.[C-]#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CNCCNC=C2C=CC=CC2=O)C(=O)C=C1.[Fe].[Ru+6].[Ru+6]

InChI

InChI=1S/4C18H15P.C16H16N2O2.2C5H5.2CN.Fe.2Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;2*1-2-4-5-3-1;2*1-2;;;/h4*1-15H;1-8,11-12,17-18H,9-10H2;2*1-5H;;;;;/q;;;;;4*-1;;2*+6/p+4