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

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

Systemtic Name:aluminum; 3,5-dimethoxyphenolate; tris(fluoranyl)methanesulfonic acid
Openeye Name:aluminum; 3,5-dimethoxyphenolate; trifluoromethanesulfonic acid
CAS Name:aluminum; 3,5-dimethoxyphenolate; trifluoromethanesulfonic acid
IUPAC Name:aluminum; 3,5-dimethoxyphenolate; trifluoromethanesulfonic acid
Traditional Name:aluminum; 3,5-dimethoxyphenolate; triflic acid
Formula: C26H29AlF6O15S2
MolecularWeight: 786.601417
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Descriptors Computed from Structure

Canonical SMILES:

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


InChI

InChI=1S/3C8H10O3.2CHF3O3S.Al/c3*1-10-7-3-6(9)4-8(5-7)11-2;2*2-1(3,4)8(5,6)7;/h3*3-5,9H,1-2H3;2*(H,5,6,7);/q;;;;;+3/p-3


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