bis(2-diphenylphosphanylethyl)-phenyl-phosphane; 2-isocyano-1,3-dimethyl-benzene; nickel

Systemtic Name: bis(2-diphenylphosphanylethyl)-phenyl-phosphane; 2-isocyano-1,3-dimethyl-benzene; nickel Openeye Name: bis(2-diphenylphosphanylethyl)-phenyl-phosphane; 2-isocyano-1,3-dimethyl-benzene; nickel CAS Name: bis(2-diphenylphosphinoethyl)-phenylphosphine; 2-isocyano-1,3-dimethylbenzene; nickel IUPAC Name: bis(2-diphenylphosphanylethyl)-phenylphosphane; 2-isocyano-1,3-dimethylbenzene; nickel Traditional Name: bis(2-diphenylphosphinoethyl)-phenyl-phosphine; 2-isocyano-1,3-dimethyl-benzene; nickel Formula: C43H42NNiP3 MolecularWeight: 724.414963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]#[C-].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.[Ni]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]#[C-].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.[Ni]

InChI

InChI=1S/C34H33P3.C9H9N.Ni/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;1-7-5-4-6-8(2)9(7)10-3;/h1-25H,26-29H2;4-6H,1-2H3;