cyclopentane; diphenylphosphane; ethynylbenzene; nickel; titanium(3+); triphenylphosphane

Systemtic Name: cyclopentane; diphenylphosphane; ethynylbenzene; nickel; titanium(3+); triphenylphosphane Openeye Name: cyclopentane; diphenylphosphane; ethynylbenzene; nickel; titanium(3+); triphenylphosphane CAS Name: cyclopentane; diphenylphosphine; ethynylbenzene; nickel; titanium(3+); triphenylphosphine IUPAC Name: cyclopentane; diphenylphosphane; ethynylbenzene; nickel; titanium(3+); triphenylphosphane Traditional Name: cyclopentane; diphenylphosphine; ethynylbenzene; nickel; titanium(3+); triphenylphosphine Formula: C48H41NiP2Ti+2 MolecularWeight: 786.347062

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)PC2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Ni]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)PC2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Ni]

InChI

InChI=1S/C18H15P.C12H11P.C8H5.2C5H5.Ni.Ti/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-6-4-3-5-7-8;2*1-2-4-5-3-1;;/h1-15H;1-10,13H;3-7H;2*1-5H;;/q;;-1;;;;+3