dialuminum; methylbenzene; 1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide

Systemtic Name: dialuminum; methylbenzene; 1,2,3,4,5-pentakis(fluoranyl)benzene-6-ide Openeye Name: dialuminum; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene CAS Name: dialuminum; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene IUPAC Name: dialuminum; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene Traditional Name: dialuminum; 1,2,3,4,5-pentafluorobenzene-6-ide; toluene Formula: C43H8Al2F30 MolecularWeight: 1148.438792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Al+3].[Al+3]

Isomeric SMILES

CC1=CC=CC=C1.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[C-]1=C(C(=C(C(=C1F)F)F)F)F.[Al+3].[Al+3]

InChI

InChI=1S/C7H8.6C6F5.2Al/c1-7-5-3-2-4-6-7;6*7-2-1-3(8)5(10)6(11)4(2)9;;/h2-6H,1H3;;;;;;;;/q;6*-1;2*+3