aluminum 2,4,6-tris(2-azanylpropan-2-yl)phenolate

Systemtic Name: aluminum 2,4,6-tris(2-azanylpropan-2-yl)phenolate Openeye Name: aluminum 2,4,6-tris(1-amino-1-methyl-ethyl)phenolate CAS Name: aluminum 2,4,6-tris(2-aminopropan-2-yl)phenolate IUPAC Name: aluminum 2,4,6-tris(2-aminopropan-2-yl)phenolate Traditional Name: aluminum 2,4,6-tris(1-amino-1-methyl-ethyl)phenolate Formula: C45H78AlN9O3 MolecularWeight: 820.140858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.[Al+3]

Isomeric SMILES

CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.CC(C)(C1=CC(=C(C(=C1)C(C)(C)N)[O-])C(C)(C)N)N.[Al+3]

InChI

InChI=1S/3C15H27N3O.Al/c3*1-13(2,16)9-7-10(14(3,4)17)12(19)11(8-9)15(5,6)18;/h3*7-8,19H,16-18H2,1-6H3;/q;;;+3/p-3