1-methyl-4-propan-2-yl-benzene; ruthenium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-4-propan-2-yl-benzene; ruthenium(2+); tris(fluoranyl)methanesulfonate Openeye Name: 1-isopropyl-4-methyl-benzene; ruthenium(2+); trifluoromethanesulfonate CAS Name: 1-methyl-4-propan-2-ylbenzene; ruthenium(2+); trifluoromethanesulfonate IUPAC Name: 1-methyl-4-propan-2-ylbenzene; ruthenium(2+); trifluoromethanesulfonate Traditional Name: p-cymene; ruthenium(2+); ditriflate Formula: C12H14F6O6RuS2 MolecularWeight: 533.426379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/C10H14.2CHF3O3S.Ru/c1-8(2)10-6-4-9(3)5-7-10;2*2-1(3,4)8(5,6)7;/h4-8H,1-3H3;2*(H,5,6,7);/q;;;+2/p-2