ethynylbenzene; 1-methylindene; nickel(2+); triphenylphosphane

Systemtic Name: ethynylbenzene; 1-methylindene; nickel(2+); triphenylphosphane Openeye Name: nickelous; ethynylbenzene; 1-methylindene; triphenylphosphane CAS Name: ethynylbenzene; 1-methylindene; nickel(2+); triphenylphosphine IUPAC Name: ethynylbenzene; 1-methylindene; nickel(2+); triphenylphosphane Traditional Name: nickelous; ethynylbenzene; 1-methylindene; triphenylphosphine Formula: C36H29NiP+ MolecularWeight: 551.282621

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][C]2[C]1C=CC=C2.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

C[C]1[CH][CH][C]2[C]1C=CC=C2.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C18H15P.C10H9.C8H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-6-7-9-4-2-3-5-10(8)9;1-2-8-6-4-3-5-7-8;/h1-15H;2-7H,1H3;3-7H;/q;;-1;+2