aluminum; 3,5-ditert-butylphenolate; tris(fluoranyl)methanesulfonic acid

Systemtic Name: aluminum; 3,5-ditert-butylphenolate; tris(fluoranyl)methanesulfonic acid Openeye Name: aluminum; 3,5-ditert-butylphenolate; trifluoromethanesulfonic acid CAS Name: aluminum; 3,5-ditert-butylphenolate; trifluoromethanesulfonic acid IUPAC Name: aluminum; 3,5-ditert-butylphenolate; trifluoromethanesulfonic acid Traditional Name: aluminum; 3,5-ditert-butylphenolate; triflic acid Formula: C44H65AlF6O9S2 MolecularWeight: 943.083457

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/3C14H22O.2CHF3O3S.Al/c3*1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;2*2-1(3,4)8(5,6)7;/h3*7-9,15H,1-6H3;2*(H,5,6,7);/q;;;;;+3/p-3