sodium 2-[[5-bromanyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[[5-bromanyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[[5-bromo-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[5-bromo-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[5-bromo-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[5-bromo-2-(2,4,6-trifluorobenzyl)oxy-benzyl]thiazole-4-carboxylate Formula: C18H10BrF3NNaO3S MolecularWeight: 480.23088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3F)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Br)CC2=NC(=CS2)C(=O)[O-])OCC3=C(C=C(C=C3F)F)F.[Na+]

InChI

InChI=1S/C18H11BrF3NO3S.Na/c19-10-1-2-16(26-7-12-13(21)5-11(20)6-14(12)22)9(3-10)4-17-23-15(8-27-17)18(24)25;/h1-3,5-6,8H,4,7H2,(H,24,25);/q;+1/p-1