cobalt(3+); (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphanium

Systemtic Name: cobalt(3+); (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphanium Openeye Name: dicobaltic; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphonium CAS Name: cobalt(3+); (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphonium IUPAC Name: cobalt(3+); (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphanium Traditional Name: dicobaltic; (Z)-1,2-dicyanoethene-1,2-dithiolate; tetraphenylphosphonium Formula: C40H20Co2N8PS8- MolecularWeight: 1018.000561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)C(=C(C#N)[S-])[S-].C(#N)C(=C(C#N)[S-])[S-].C(#N)C(=C(C#N)[S-])[S-].C(#N)C(=C(C#N)[S-])[S-].[Co+3].[Co+3]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].[Co+3].[Co+3]

InChI

InChI=1S/C24H20P.4C4H2N2S2.2Co/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*5-1-3(7)4(8)2-6;;/h1-20H;4*7-8H;;/q+1;;;;;2*+3/p-8/b;4*4-3-;;