bis(2-diphenylphosphaniumylphenyl)-phenyl-phosphanium; nickel(2+); 2-sulfanylidene-1,3-dithiole-4,5-dithiolate

Systemtic Name: bis(2-diphenylphosphaniumylphenyl)-phenyl-phosphanium; nickel(2+); 2-sulfanylidene-1,3-dithiole-4,5-dithiolate Openeye Name: nickelous; bis(2-diphenylphosphaniumylphenyl)-phenyl-phosphonium; 2-thioxo-1,3-dithiole-4,5-dithiolate CAS Name: bis(2-diphenylphosphiniumylphenyl)-phenylphosphonium; nickel(2+); 2-sulfanylidene-1,3-dithiole-4,5-dithiolate IUPAC Name: bis(2-diphenylphosphaniumylphenyl)-phenylphosphanium; nickel(2+); 2-sulfanylidene-1,3-dithiole-4,5-dithiolate Traditional Name: nickelous; bis(2-diphenylphosphiniumylphenyl)-phenyl-phosphonium; 2-thioxo-1,3-dithiole-4,5-dithiolate Formula: C45H36NiP3S5+3 MolecularWeight: 888.707023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3[PH+](C4=CC=CC=C4)C5=CC=CC=C5[PH+](C6=CC=CC=C6)C7=CC=CC=C7.C1(=C(SC(=S)S1)[S-])[S-].[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3[PH+](C4=CC=CC=C4)C5=CC=CC=C5[PH+](C6=CC=CC=C6)C7=CC=CC=C7.C1(=C(SC(=S)S1)[S-])[S-].[Ni+2]

InChI

InChI=1S/C42H33P3.C3H2S5.Ni/c1-6-20-34(21-7-1)43(35-22-8-2-9-23-35)39-30-16-18-32-41(39)45(38-28-14-5-15-29-38)42-33-19-17-31-40(42)44(36-24-10-3-11-25-36)37-26-12-4-13-27-37;4-1-2(5)8-3(6)7-1;/h1-33H;4-5H;/q;;+2/p+1