1,2,3,4,5,6-hexamethylbenzene; methylbenzene; samarium(3+); tetrakis(chloranyl)alumanuide

Systemtic Name: 1,2,3,4,5,6-hexamethylbenzene; methylbenzene; samarium(3+); tetrakis(chloranyl)alumanuide Openeye Name: 1,2,3,4,5,6-hexamethylbenzene; samarium(3+); tetrachloroalumanuide; toluene CAS Name: 1,2,3,4,5,6-hexamethylbenzene; samarium(3+); tetrachloroalumanuide; toluene IUPAC Name: 1,2,3,4,5,6-hexamethylbenzene; samarium(3+); tetrachloroalumanuide; toluene Traditional Name: mellitene; samarium(3+); tetrachloroalumanuide; toluene Formula: C19H26Al3Cl12Sm MolecularWeight: 911.150354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=C(C(=C(C(=C1C)C)C)C)C.[Al-](Cl)(Cl)(Cl)Cl.[Al-](Cl)(Cl)(Cl)Cl.[Al-](Cl)(Cl)(Cl)Cl.[Sm+3]

Isomeric SMILES

CC1=CC=CC=C1.CC1=C(C(=C(C(=C1C)C)C)C)C.[Al-](Cl)(Cl)(Cl)Cl.[Al-](Cl)(Cl)(Cl)Cl.[Al-](Cl)(Cl)(Cl)Cl.[Sm+3]

InChI

InChI=1S/C12H18.C7H8.3Al.12ClH.Sm/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-3-2-4-6-7;;;;;;;;;;;;;;;;/h1-6H3;2-6H,1H3;;;;12*1H;/q;;3*+3;;;;;;;;;;;;;+3/p-12