chloranylruthenium(1+); ethanenitrile; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate

Systemtic Name: chloranylruthenium(1+); ethanenitrile; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate Openeye Name: acetonitrile; chlororuthenium(1+); 1-isopropyl-4-methyl-benzene; hexafluorophosphate CAS Name: acetonitrile; chlororuthenium(1+); 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate IUPAC Name: acetonitrile; chlororuthenium(1+); 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate Traditional Name: acetonitrile; chlororuthenium(1+); p-cymene; hexafluorophosphate Formula: C14H20ClF6N2PRu MolecularWeight: 497.80918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC1=CC=C(C=C1)C(C)C.F[P-](F)(F)(F)(F)F.Cl[Ru+]

Isomeric SMILES

CC#N.CC#N.CC1=CC=C(C=C1)C(C)C.F[P-](F)(F)(F)(F)F.Cl[Ru+]

InChI

InChI=1S/C10H14.2C2H3N.ClH.F6P.Ru/c1-8(2)10-6-4-9(3)5-7-10;2*1-2-3;;1-7(2,3,4,5)6;/h4-8H,1-3H3;2*1H3;1H;;/q;;;;-1;+2/p-1