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

Systemtic Name: sodium 2-[[2-[[2,4-bis(fluoranyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[2-(2,4-difluorobenzyl)oxy-5-(trifluoromethyl)benzyl]thiazole-4-carboxylate Formula: C19H11F5NNaO3S MolecularWeight: 451.342326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3)F)F.[Na+]

InChI

InChI=1S/C19H12F5NO3S.Na/c20-13-3-1-10(14(21)7-13)8-28-16-4-2-12(19(22,23)24)5-11(16)6-17-25-15(9-29-17)18(26)27;/h1-5,7,9H,6,8H2,(H,26,27);/q;+1/p-1