3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; tris(chloraniumyl)ruthenium

Systemtic Name: 3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; tris(chloraniumyl)ruthenium Openeye Name: 3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; trichloronioruthenium CAS Name: 3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; trichloronioruthenium IUPAC Name: 3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; trichloronioruthenium Traditional Name: 3,4-dimethyl-1-phenyl-1H-phosphol-1-ium; ruthenium; trichloronioruthenium Formula: C72H87Cl3P6Ru2+9 MolecularWeight: 1446.802746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.[ClH+][Ru]([ClH+])[ClH+].[Ru]

Isomeric SMILES

CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.CC1=C[PH+](C=C1C)C2=CC=CC=C2.[ClH+][Ru]([ClH+])[ClH+].[Ru]

InChI

InChI=1S/6C12H13P.3ClH.2Ru/c6*1-10-8-13(9-11(10)2)12-6-4-3-5-7-12;;;;;/h6*3-9H,1-2H3;3*1H;;/q;;;;;;;;;;+3/p+6