lithium; 1-methyl-4-propan-2-yl-benzene; piperidin-1-ide-2,3-diol; ruthenium; fluoride

Systemtic Name: lithium; 1-methyl-4-propan-2-yl-benzene; piperidin-1-ide-2,3-diol; ruthenium; fluoride Openeye Name: lithium; 1-isopropyl-4-methyl-benzene; piperidin-1-ide-2,3-diol; ruthenium; fluoride CAS Name: lithium; 1-methyl-4-propan-2-ylbenzene; piperidin-1-ide-2,3-diol; ruthenium; fluoride IUPAC Name: lithium; 1-methyl-4-propan-2-ylbenzene; piperidin-1-ide-2,3-diol; ruthenium; fluoride Traditional Name: lithium; p-cymene; piperidin-1-ide-2,3-diol; ruthenium; fluoride Formula: C45H72FLiN3O6Ru3-3 MolecularWeight: 1080.219083

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.C1CC(C([N-]C1)O)O.C1CC(C([N-]C1)O)O.C1CC(C([N-]C1)O)O.[F-].[Ru].[Ru].[Ru]

Isomeric SMILES

[Li+].CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.C1CC(C([N-]C1)O)O.C1CC(C([N-]C1)O)O.C1CC(C([N-]C1)O)O.[F-].[Ru].[Ru].[Ru]

InChI

InChI=1S/3C10H14.3C5H10NO2.FH.Li.3Ru/c3*1-8(2)10-6-4-9(3)5-7-10;3*7-4-2-1-3-6-5(4)8;;;;;/h3*4-8H,1-3H3;3*4-5,7-8H,1-3H2;1H;;;;/q;;;3*-1;;+1;;;/p-1