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sodium 2-[1-methyl-5-[3-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoate dihydrate

sodium 2-[1-methyl-5-[3-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoate dihydrate

Systemtic Name:sodium 2-[1-methyl-5-[3-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoate dihydrate
Openeye Name:sodium 2-[1-methyl-5-[3-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetate dihydrate
CAS Name:sodium 2-[1-methyl-5-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]acetate dihydrate
IUPAC Name:sodium 2-[1-methyl-5-[3-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetate dihydrate
Traditional Name:sodium 2-[1-methyl-5-[3-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetate dihydrate
Formula: C15H15F3NNaO5
MolecularWeight: 369.26828
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC(=O)[O-].O.O.[Na+]


Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC(=O)[O-].O.O.[Na+]


InChI

InChI=1S/C15H12F3NO3.Na.2H2O/c1-19-11(8-13(20)21)5-6-12(19)14(22)9-3-2-4-10(7-9)15(16,17)18;;;/h2-7H,8H2,1H3,(H,20,21);;2*1H2/q;+1;;/p-1


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