carbon monoxide; 1-methyl-4-propan-2-yl-cyclohexane; ruthenium(2+); tricyclohexylphosphane; tris(fluoranyl)methanesulfonate

Systemtic Name: carbon monoxide; 1-methyl-4-propan-2-yl-cyclohexane; ruthenium(2+); tricyclohexylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: carbon monoxide; 1-isopropyl-4-methyl-cyclohexane; ruthenium(2+); tricyclohexylphosphane; trifluoromethanesulfonate CAS Name: carbon monoxide; 1-methyl-4-propan-2-ylcyclohexane; ruthenium(2+); tricyclohexylphosphine; trifluoromethanesulfonate IUPAC Name: carbon monoxide; 1-methyl-4-propan-2-ylcyclohexane; ruthenium(2+); tricyclohexylphosphane; trifluoromethanesulfonate Traditional Name: carbon monoxide; 1-isopropyl-4-methyl-cyclohexane; ruthenium(2+); tricyclohexylphosphine; ditriflate Formula: C31H47F6O7PRuS2 MolecularWeight: 841.86486

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/C18H33P.C10H14.2CHF3O3S.CO.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;2*2-1(3,4)8(5,6)7;1-2;/h16-18H,1-15H2;4-8H,1-3H3;2*(H,5,6,7);;/q;;;;;+2/p-2