1-(3-phenylpropyl)-4-propan-2-yl-benzene; ruthenium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(3-phenylpropyl)-4-propan-2-yl-benzene; ruthenium(2+); tris(fluoranyl)methanesulfonate Openeye Name: 1-isopropyl-4-(3-phenylpropyl)benzene; ruthenium(2+); trifluoromethanesulfonate CAS Name: 1-(3-phenylpropyl)-4-propan-2-ylbenzene; ruthenium(2+); trifluoromethanesulfonate IUPAC Name: 1-(3-phenylpropyl)-4-propan-2-ylbenzene; ruthenium(2+); trifluoromethanesulfonate Traditional Name: 1-isopropyl-4-(3-phenylpropyl)benzene; ruthenium(2+); ditriflate Formula: C20H22F6O6RuS2 MolecularWeight: 637.575499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/C18H22.2CHF3O3S.Ru/c1-15(2)18-13-11-17(12-14-18)10-6-9-16-7-4-3-5-8-16;2*2-1(3,4)8(5,6)7;/h3-5,7-8,11-15H,6,9-10H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2