cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphanium; zirconium

Systemtic Name: cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphanium; zirconium Openeye Name: cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphonium; zirconium CAS Name: cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphonium; zirconium IUPAC Name: cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphanium; zirconium Traditional Name: cyclopenta-1,3-diene; ethynylbenzene; ruthenium(5+); selenium; triphenylphosphonium; zirconium Formula: C41H36PRuSeZr+2 MolecularWeight: 830.952301

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Se].[Zr].[Ru+5]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Se].[Zr].[Ru+5]

InChI

InChI=1S/C18H15P.C8H5.3C5H5.Ru.Se.Zr/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;3*1-2-4-5-3-1;;;/h1-15H;3-7H;3*1-5H;;;/q;4*-1;+5;;/p+1