4-azanylbenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphanium

Systemtic Name: 4-azanylbenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphanium Openeye Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphonium CAS Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphonium IUPAC Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphanium Traditional Name: 4-aminobenzenethiolate; cyclopenta-1,3-diene; nickel; triphenylphosphonium Formula: C29H27NNiPS- MolecularWeight: 511.263541

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1N)[S-].[Ni]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC=C1N)[S-].[Ni]

InChI

InChI=1S/C18H15P.C6H7NS.C5H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-3-6(8)4-2-5;1-2-4-5-3-1;/h1-15H;1-4,8H,7H2;1-5H;/q;;-1;