2,6-bis(diphenylphosphaniumylmethyl)benzenethiolate; nickel

Systemtic Name: 2,6-bis(diphenylphosphaniumylmethyl)benzenethiolate; nickel Openeye Name: 2,6-bis(diphenylphosphaniumylmethyl)benzenethiolate; nickel CAS Name: 2,6-bis(diphenylphosphiniumylmethyl)benzenethiolate; nickel IUPAC Name: 2,6-bis(diphenylphosphaniumylmethyl)benzenethiolate; nickel Traditional Name: 2,6-bis(diphenylphosphiniumylmethyl)benzenethiolate; nickel Formula: C64H58Ni2P4S2+2 MolecularWeight: 1132.557164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](CC2=C(C(=CC=C2)C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)[S-])C5=CC=CC=C5.C1=CC=C(C=C1)[PH+](CC2=C(C(=CC=C2)C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)[S-])C5=CC=CC=C5.[Ni].[Ni]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](CC2=C(C(=CC=C2)C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)[S-])C5=CC=CC=C5.C1=CC=C(C=C1)[PH+](CC2=C(C(=CC=C2)C[PH+](C3=CC=CC=C3)C4=CC=CC=C4)[S-])C5=CC=CC=C5.[Ni].[Ni]

InChI

InChI=1S/2C32H28P2S.2Ni/c2*35-32-26(24-33(28-16-5-1-6-17-28)29-18-7-2-8-19-29)14-13-15-27(32)25-34(30-20-9-3-10-21-30)31-22-11-4-12-23-31;;/h2*1-23,35H,24-25H2;;/p+2