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

Systemtic Name: aluminum; 3-sulfanylphenolate; tris(fluoranyl)methanesulfonic acid Openeye Name: aluminum; 3-sulfanylphenolate; trifluoromethanesulfonic acid CAS Name: aluminum; 3-mercaptophenolate; trifluoromethanesulfonic acid IUPAC Name: aluminum; 3-sulfanylphenolate; trifluoromethanesulfonic acid Traditional Name: aluminum; 3-mercaptophenolate; triflic acid Formula: C20H17AlF6O9S5 MolecularWeight: 702.640537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H6OS.2CHF3O3S.Al/c3*7-5-2-1-3-6(8)4-5;2*2-1(3,4)8(5,6)7;/h3*1-4,7-8H;2*(H,5,6,7);/q;;;;;+3/p-3