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

Systemtic Name: chloranylruthenium(1+); 1-methyl-4-propan-2-yl-benzene; tricyclohexylphosphane; tris(fluoranyl)methanesulfonate Openeye Name: chlororuthenium(1+); 1-isopropyl-4-methyl-benzene; tricyclohexylphosphane; trifluoromethanesulfonate CAS Name: chlororuthenium(1+); 1-methyl-4-propan-2-ylbenzene; tricyclohexylphosphine; trifluoromethanesulfonate IUPAC Name: chlororuthenium(1+); 1-methyl-4-propan-2-ylbenzene; tricyclohexylphosphane; trifluoromethanesulfonate Traditional Name: chlororuthenium(1+); p-cymene; tricyclohexylphosphine; triflate Formula: C29H47ClF3O3PRuS MolecularWeight: 700.238651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].Cl[Ru+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C(F)(F)(F)S(=O)(=O)[O-].Cl[Ru+]

InChI

InChI=1S/C18H33P.C10H14.CHF3O3S.ClH.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;2-1(3,4)8(5,6)7;;/h16-18H,1-15H2;4-8H,1-3H3;(H,5,6,7);1H;/q;;;;+2/p-2