dimethylalumanyl 2,4,6-tri(propan-2-yl)benzoate; neodymium; tetramethylalumanuide; 2,4,6-tri(propan-2-yl)benzoic acid

Systemtic Name: dimethylalumanyl 2,4,6-tri(propan-2-yl)benzoate; neodymium; tetramethylalumanuide; 2,4,6-tri(propan-2-yl)benzoic acid Openeye Name: dimethylalumanyl 2,4,6-triisopropylbenzoate; neodymium; tetramethylalumanuide; 2,4,6-triisopropylbenzoic acid CAS Name: neodymium; tetramethylalumanuide; 2,4,6-tri(propan-2-yl)benzoic acid; 2,4,6-tri(propan-2-yl)benzoic acid dimethylalumanyl ester IUPAC Name: dimethylalumanyl 2,4,6-tri(propan-2-yl)benzoate; neodymium; tetramethylalumanuide; 2,4,6-tri(propan-2-yl)benzoic acid Traditional Name: neodymium; tetramethylalumanuide; 2,4,6-triisopropylbenzoic acid; 2,4,6-triisopropylbenzoic acid dimethylalumanyl ester Formula: C72H118Al3NdO8- MolecularWeight: 1336.887134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O[Al](C)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O[Al](C)C)C(C)C.C[Al-](C)(C)C.[Nd]

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O[Al](C)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O[Al](C)C)C(C)C.C[Al-](C)(C)C.[Nd]

InChI

InChI=1S/4C16H24O2.8CH3.3Al.Nd/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;;;;;;;;;;;;/h4*7-11H,1-6H3,(H,17,18);8*1H3;;;;/q;;;;;;;;;;;;-1;2*+1;/p-2