cyclohexa-2,4-dien-1-yl(diphenyl)phosphane; nickel; triphenylphosphane

Systemtic Name: cyclohexa-2,4-dien-1-yl(diphenyl)phosphane; nickel; triphenylphosphane Openeye Name: cyclohexa-2,4-dien-1-yl(diphenyl)phosphane; nickel; triphenylphosphane CAS Name: 1-cyclohexa-2,4-dienyl(diphenyl)phosphine; nickel; triphenylphosphine IUPAC Name: cyclohexa-2,4-dien-1-yl(diphenyl)phosphane; nickel; triphenylphosphane Traditional Name: cyclohexa-2,4-dien-1-yl(diphenyl)phosphine; nickel; triphenylphosphine Formula: C72H62NiP4 MolecularWeight: 1109.851124

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1P(C2=CC=CC=C2)C3=CC=CC=C3.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=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

Isomeric SMILES

C1C=CC=CC1P(C2=CC=CC=C2)C3=CC=CC=C3.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=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni]

InChI

InChI=1S/C18H17P.3C18H15P.Ni/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-14,18H,15H2;3*1-15H;