aluminum; 3-methoxyphenolate; tris(fluoranyl)methanesulfonic acid

Systemtic Name: aluminum; 3-methoxyphenolate; tris(fluoranyl)methanesulfonic acid Openeye Name: aluminum; 3-methoxyphenolate; trifluoromethanesulfonic acid CAS Name: aluminum; 3-methoxyphenolate; trifluoromethanesulfonic acid IUPAC Name: aluminum; 3-methoxyphenolate; trifluoromethanesulfonic acid Traditional Name: aluminum; 3-methoxyphenolate; triflic acid Formula: C23H23AlF6O12S2 MolecularWeight: 696.523477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)[O-].COC1=CC=CC(=C1)[O-].COC1=CC=CC(=C1)[O-].C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Al+3]

Isomeric SMILES

COC1=CC=CC(=C1)[O-].COC1=CC=CC(=C1)[O-].COC1=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/3C7H8O2.2CHF3O3S.Al/c3*1-9-7-4-2-3-6(8)5-7;2*2-1(3,4)8(5,6)7;/h3*2-5,8H,1H3;2*(H,5,6,7);/q;;;;;+3/p-3