chloranylnickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphane

Systemtic Name: chloranylnickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphane Openeye Name: chloronickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphane CAS Name: chloronickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphine IUPAC Name: chloronickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphane Traditional Name: chloronickel; 1-(4H-naphthalen-4-id-1-yl)ethanone; triphenylphosphine Formula: C48H39ClNiOP2- MolecularWeight: 787.916582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[C-]C2=CC=CC=C21.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.Cl[Ni]

Isomeric SMILES

CC(=O)C1=CC=[C-]C2=CC=CC=C21.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.Cl[Ni]

InChI

InChI=1S/2C18H15P.C12H9O.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;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;;/h2*1-15H;2-5,7-8H,1H3;1H;/q;;-1;;+1/p-1