cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphane

Systemtic Name: cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphane Openeye Name: cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphane CAS Name: cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphine IUPAC Name: cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphane Traditional Name: cyclopentane; ethynylbenzene; ethynyl(trimethyl)silane; nickel; titanium(4+); triphenylphosphine Formula: C41H39NiPSiTi+2 MolecularWeight: 697.368021

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)C#[C-].[C-]#CC1=CC=CC=C1.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+4].[Ni]

Isomeric SMILES

C[Si](C)(C)C#[C-].[C-]#CC1=CC=CC=C1.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+4].[Ni]

InChI

InChI=1S/C18H15P.C8H5.C5H9Si.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;1-2-8-6-4-3-5-7-8;1-5-6(2,3)4;2*1-2-4-5-3-1;;/h1-15H;3-7H;2-4H3;2*1-5H;;/q;2*-1;;;;+4