benzene; (Z)-2-diphenylphosphanyl-1-phenyl-ethenol; nickel; triphenylphosphane

Systemtic Name: benzene; (Z)-2-diphenylphosphanyl-1-phenyl-ethenol; nickel; triphenylphosphane Openeye Name: benzene; (Z)-2-diphenylphosphanyl-1-phenyl-ethenol; nickel; triphenylphosphane CAS Name: benzene; (Z)-2-diphenylphosphino-1-phenylethenol; nickel; triphenylphosphine IUPAC Name: benzene; (Z)-2-diphenylphosphanyl-1-phenylethenol; nickel; triphenylphosphane Traditional Name: benzene; (Z)-2-diphenylphosphino-1-phenyl-ethenol; nickel; triphenylphosphine Formula: C44H37NiOP2- MolecularWeight: 702.404902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=C(C=C1)C(=CP(C2=CC=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=C(C=C1)/C(=C/P(C2=CC=CC=C2)C3=CC=CC=C3)/O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

InChI

InChI=1S/C20H17OP.C18H15P.C6H5.Ni/c21-20(17-10-4-1-5-11-17)16-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19;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;/h1-16,21H;1-15H;1-5H;/q;;-1;/b20-16-;;;