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

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,4,5-pentamethylcyclopentane; propane; ruthenium(4+) Openeye Name: 4-methylbenzenesulfonate; 1,2,3,4,5-pentamethylcyclopentane; propane; ruthenium(4+) CAS Name: 4-methylbenzenesulfonate; 1,2,3,4,5-pentamethylcyclopentane; propane; ruthenium(4+) IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,4,5-pentamethylcyclopentane; propane; ruthenium(4+) Traditional Name: 1,2,3,4,5-pentamethylcyclopentane; propane; ruthenium(4+); ditosylate Formula: C27H34O6RuS2+2 MolecularWeight: 619.75526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2][CH][CH2].[Ru+4]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2][CH][CH2].[Ru+4]

InChI

InChI=1S/C10H15.2C7H8O3S.C3H5.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-6-2-4-7(5-3-6)11(8,9)10;1-3-2;/h1-5H3;2*2-5H,1H3,(H,8,9,10);3H,1-2H2;/q;;;;+4/p-2