3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphane

Systemtic Name: 3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphane Openeye Name: 3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphane CAS Name: 3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphine IUPAC Name: 3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphane Traditional Name: 3,5-ditert-butyl-1H-1,2,4-triphosphole; nickel; nitric oxide; triphenylphosphine Formula: C56H68N2Ni2O2P8 MolecularWeight: 1166.328208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=PC(=PP1)C(C)(C)C.CC(C)(C)C1=PC(=PP1)C(C)(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[N]=O.[N]=O.[Ni].[Ni]

Isomeric SMILES

CC(C)(C)C1=PC(=PP1)C(C)(C)C.CC(C)(C)C1=PC(=PP1)C(C)(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[N]=O.[N]=O.[Ni].[Ni]

InChI

InChI=1S/2C18H15P.2C10H19P3.2NO.2Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;2*1-2;;/h2*1-15H;2*12H,1-6H3;;;;