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aluminum; 4-(dimethylamino)-3-methyl-phenolate; tris(fluoranyl)methanesulfonic acid

aluminum; 4-(dimethylamino)-3-methyl-phenolate; tris(fluoranyl)methanesulfonic acid

Systemtic Name:aluminum; 4-(dimethylamino)-3-methyl-phenolate; tris(fluoranyl)methanesulfonic acid
Openeye Name:aluminum; 4-(dimethylamino)-3-methyl-phenolate; trifluoromethanesulfonic acid
CAS Name:aluminum; 4-(dimethylamino)-3-methylphenolate; trifluoromethanesulfonic acid
IUPAC Name:aluminum; 4-(dimethylamino)-3-methylphenolate; trifluoromethanesulfonic acid
Traditional Name:aluminum; 4-(dimethylamino)-3-methyl-phenolate; triflic acid
Formula: C29H38AlF6N3O9S2
MolecularWeight: 777.728677
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[O-])N(C)C.CC1=C(C=CC(=C1)[O-])N(C)C.CC1=C(C=CC(=C1)[O-])N(C)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Al+3]


Isomeric SMILES

CC1=C(C=CC(=C1)[O-])N(C)C.CC1=C(C=CC(=C1)[O-])N(C)C.CC1=C(C=CC(=C1)[O-])N(C)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Al+3]


InChI

InChI=1S/3C9H13NO.2CHF3O3S.Al/c3*1-7-6-8(11)4-5-9(7)10(2)3;2*2-1(3,4)8(5,6)7;/h3*4-6,11H,1-3H3;2*(H,5,6,7);/q;;;;;+3/p-3


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