diphenyl(phenylsulfanylmethyl)phosphanium; nickel(2+); diisothiocyanate

Systemtic Name: diphenyl(phenylsulfanylmethyl)phosphanium; nickel(2+); diisothiocyanate Openeye Name: nickelous diphenyl(phenylsulfanylmethyl)phosphonium diisothiocyanate CAS Name: diphenyl-[(phenylthio)methyl]phosphonium; nickel(2+); diisothiocyanate IUPAC Name: diphenyl(phenylsulfanylmethyl)phosphanium; nickel(2+); diisothiocyanate Traditional Name: nickelous diphenyl-[(phenylthio)methyl]phosphonium diisothiocyanate Formula: C40H36N2NiP2S4+2 MolecularWeight: 793.628162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](CSC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](CSC2=CC=CC=C2)C3=CC=CC=C3.C(=[N-])=S.C(=[N-])=S.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](CSC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](CSC2=CC=CC=C2)C3=CC=CC=C3.C(=[N-])=S.C(=[N-])=S.[Ni+2]

InChI

InChI=1S/2C19H17PS.2CNS.Ni/c2*1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19;2*2-1-3;/h2*1-15H,16H2;;;/q;;2*-1;+2/p+2