nickel(2+); 2-nitroethene-1,1-dithiolate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: nickel(2+); 2-nitroethene-1,1-dithiolate; triphenyl-(phenylmethyl)phosphanium Openeye Name: nickelous; benzyl(triphenyl)phosphonium; 2-nitroethene-1,1-dithiolate CAS Name: nickel(2+); 2-nitroethene-1,1-dithiolate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; nickel(2+); 2-nitroethene-1,1-dithiolate Traditional Name: nickelous; benzyl(triphenyl)phosphonium; 2-nitroethene-1,1-dithiolate Formula: C29H24N2NiO4PS4- MolecularWeight: 682.439021

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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(=C([S-])[S-])[N+](=O)[O-].C(=C([S-])[S-])[N+](=O)[O-].[Ni+2]

Isomeric SMILES

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

InChI

InChI=1S/C25H22P.2C2H3NO2S2.Ni/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;2*4-3(5)1-2(6)7;/h1-20H,21H2;2*1,6-7H;/q+1;;;+2/p-4