benzene; 4-diphenylphosphanyl-5-methyl-2-phenyl-pyrazol-3-olate; nickel(2+); triphenylphosphane

Systemtic Name: benzene; 4-diphenylphosphanyl-5-methyl-2-phenyl-pyrazol-3-olate; nickel(2+); triphenylphosphane Openeye Name: nickelous; benzene; 4-diphenylphosphanyl-5-methyl-2-phenyl-pyrazol-3-olate; triphenylphosphane CAS Name: benzene; 4-diphenylphosphino-5-methyl-2-phenyl-3-pyrazololate; nickel(2+); triphenylphosphine IUPAC Name: benzene; 4-diphenylphosphanyl-5-methyl-2-phenylpyrazol-3-olate; nickel(2+); triphenylphosphane Traditional Name: nickelous; benzene; 4-diphenylphosphino-5-methyl-2-phenyl-pyrazol-3-olate; triphenylphosphine Formula: C46H38N2NiOP2 MolecularWeight: 755.447642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1P(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C4=CC=CC=C4.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=NN(C(=C1P(C2=CC=CC=C2)C3=CC=CC=C3)[O-])C4=CC=CC=C4.C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C22H19N2OP.C18H15P.C6H5.Ni/c1-17-21(22(25)24(23-17)18-11-5-2-6-12-18)26(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h2-16,25H,1H3;1-15H;1-5H;/q;;-1;+2/p-1