copper triphenyl-(phenylmethyl)phosphanium tetrathiocyanate

Systemtic Name: copper triphenyl-(phenylmethyl)phosphanium tetrathiocyanate Openeye Name: copper benzyl(triphenyl)phosphonium tetrathiocyanate CAS Name: copper triphenyl-(phenylmethyl)phosphonium tetrathiocyanate IUPAC Name: copper benzyl(triphenyl)phosphanium tetrathiocyanate Traditional Name: cupric benzyl(triphenyl)phosphonium tetrathiocyanate Formula: C29H22CuN4PS4- MolecularWeight: 649.291541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Cu+2]

InChI

InChI=1S/C25H22P.4CHNS.Cu/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;4*2-1-3;/h1-20H,21H2;4*3H;/q+1;;;;;+2/p-4