chloranylnickel; 1H-naphthalen-1-ide; triphenylphosphane; hydrate

Systemtic Name: chloranylnickel; 1H-naphthalen-1-ide; triphenylphosphane; hydrate Openeye Name: chloronickel; 1H-naphthalen-1-ide; triphenylphosphane; hydrate CAS Name: chloronickel; 1H-naphthalen-1-ide; triphenylphosphine; hydrate IUPAC Name: chloronickel; 1H-naphthalen-1-ide; triphenylphosphane; hydrate Traditional Name: chloronickel; 1H-naphthalen-1-ide; triphenylphosphine; hydrate Formula: C46H39ClNiOP2- MolecularWeight: 763.895182

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Descriptors Computed from Structure

Canonical SMILES:

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.C1=CC=C2[C-]=CC=CC2=C1.O.Cl[Ni]

Isomeric SMILES

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.C1=CC=C2[C-]=CC=CC2=C1.O.Cl[Ni]

InChI

InChI=1S/2C18H15P.C10H7.ClH.Ni.H2O/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10-8-4-3-7-9(10)5-1;;;/h2*1-15H;1-7H;1H;;1H2/q;;-1;;+1;/p-1