aluminum; 3-tert-butylphenolate; tris(fluoranyl)methanesulfonic acid

Systemtic Name: aluminum; 3-tert-butylphenolate; tris(fluoranyl)methanesulfonic acid Openeye Name: aluminum; 3-tert-butylphenolate; trifluoromethanesulfonic acid CAS Name: aluminum; 3-tert-butylphenolate; trifluoromethanesulfonic acid IUPAC Name: aluminum; 3-tert-butylphenolate; trifluoromethanesulfonic acid Traditional Name: aluminum; 3-tert-butylphenolate; triflic acid Formula: C32H41AlF6O9S2 MolecularWeight: 774.764497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H14O.2CHF3O3S.Al/c3*1-10(2,3)8-5-4-6-9(11)7-8;2*2-1(3,4)8(5,6)7;/h3*4-7,11H,1-3H3;2*(H,5,6,7);/q;;;;;+3/p-3