sodium 2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-[(2-chlorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-(2-chlorobenzyl)oxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C19H12ClF3NNaO3S MolecularWeight: 449.80646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C(F)(F)F)CC3=NC(=CS3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C19H13ClF3NO3S.Na/c20-14-4-2-1-3-11(14)9-27-16-6-5-13(19(21,22)23)7-12(16)8-17-24-15(10-28-17)18(25)26;/h1-7,10H,8-9H2,(H,25,26);/q;+1/p-1