benzene; chloranylnickel; triphenylphosphanium

Systemtic Name: benzene; chloranylnickel; triphenylphosphanium Openeye Name: benzene; chloronickel; triphenylphosphonium CAS Name: benzene; chloronickel; triphenylphosphonium IUPAC Name: benzene; chloronickel; triphenylphosphanium Traditional Name: benzene; chloronickel; triphenylphosphonium Formula: C42H37ClNiP2+ MolecularWeight: 697.837102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[C-]C=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]

Isomeric SMILES

C1=CC=[C-]C=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]

InChI

InChI=1S/2C18H15P.C6H5.ClH.Ni/c2*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*1-15H;1-5H;1H;/q;;-1;;+1/p+1