bis(chloranyl)cobalt; cobalt; cyclopenta-1,3-diene; triphenylphosphanium; tetracyanide

Systemtic Name: bis(chloranyl)cobalt; cobalt; cyclopenta-1,3-diene; triphenylphosphanium; tetracyanide Openeye Name: cobalt; cyclopenta-1,3-diene; dichlorocobalt; triphenylphosphonium; tetracyanide CAS Name: cobalt; cyclopenta-1,3-diene; dichlorocobalt; triphenylphosphonium; tetracyanide IUPAC Name: cobalt; cyclopenta-1,3-diene; dichlorocobalt; triphenylphosphanium; tetracyanide Traditional Name: cobalt; cyclopenta-1,3-diene; dichlorocobalt; triphenylphosphonium; tetracyanide Formula: C50H42Cl4Co4N4P2-4 MolecularWeight: 1138.387602

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[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.Cl[Co]Cl.Cl[Co]Cl.[Co].[Co]

Isomeric SMILES

[C-]#N.[C-]#N.[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.Cl[Co]Cl.Cl[Co]Cl.[Co].[Co]

InChI

InChI=1S/2C18H15P.2C5H5.4CN.4ClH.4Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2;;;;;;;;/h2*1-15H;2*1-5H;;;;;4*1H;;;;/q;;6*-1;;;;;;;2*+2/p-2