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

Systemtic Name: sodium 2-[[5-chloranyl-2-[[2,3,4-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[5-chloro-2-[(2,3,4-trifluorophenyl)methoxy]phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[5-chloro-2-[(2,3,4-trifluorophenyl)methoxy]phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[5-chloro-2-[(2,3,4-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[5-chloro-2-(2,3,4-trifluorobenzyl)oxy-benzyl]thiazole-4-carboxylate Formula: C18H10ClF3NNaO3S MolecularWeight: 435.77988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C(=C(C=C3)F)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C(=C(C=C3)F)F)F.[Na+]

InChI

InChI=1S/C18H11ClF3NO3S.Na/c19-11-2-4-14(26-7-9-1-3-12(20)17(22)16(9)21)10(5-11)6-15-23-13(8-27-15)18(24)25;/h1-5,8H,6-7H2,(H,24,25);/q;+1/p-1