1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+)

Systemtic Name: 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+) Openeye Name: 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+) CAS Name: 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+) IUPAC Name: 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+) Traditional Name: 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene; propane; ruthenium(2+) Formula: C27H30Ru+2 MolecularWeight: 455.5971

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2][CH][CH2].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ru+2]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2][CH][CH2].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ru+2]

InChI

InChI=1S/C14H10.C10H15.C3H5.Ru/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-6-7(2)9(4)10(5)8(6)3;1-3-2;/h1-10H;1-5H3;3H,1-2H2;/q;;;+2