1,6-diphenylhex-3-en-1-yn-3-ylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphane

Systemtic Name: 1,6-diphenylhex-3-en-1-yn-3-ylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphane Openeye Name: 3,6-diphenylhex-3-en-1-ynylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphane CAS Name: 1,6-diphenylhex-3-en-1-yn-3-ylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphine IUPAC Name: 1,6-diphenylhex-3-en-1-yn-3-ylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphane Traditional Name: 3,6-diphenylhex-3-en-1-ynylbenzene; 1,2,3,4,5-pentamethylcyclopentane; ruthenium(2+); triphenylphosphine Formula: C52H47PRu+2 MolecularWeight: 803.973341

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[CH][CH][C]=C(C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+2]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[CH][CH][C]=C(C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+2]

InChI

InChI=1S/C24H17.C18H15P.C10H15.Ru/c1-4-11-21(12-5-1)15-10-18-24(23-16-8-3-9-17-23)20-19-22-13-6-2-7-14-22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-7(2)9(4)10(5)8(6)3;/h1-17H;1-15H;1-5H3;/q;;;+2