benzenethiolate; nickel

Systemtic Name: benzenethiolate; nickel Openeye Name: benzenethiolate; nickel CAS Name: benzenethiolate; nickel IUPAC Name: benzenethiolate; nickel Traditional Name: benzenethiolate; nickel Formula: C132H110Ni11S22-22 MolecularWeight: 3047.3432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni]

Isomeric SMILES

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni]

InChI

InChI=1S/22C6H6S.11Ni/c22*7-6-4-2-1-3-5-6;;;;;;;;;;;/h22*1-5,7H;;;;;;;;;;;/p-22