2-[[5-chloranyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[5-chloranyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[5-chloro-2-(2,4,6-trifluorobenzyl)oxy-benzyl]thiazole-4-carboxylic acid Formula: C18H11ClF3NO3S MolecularWeight: 413.79805

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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=C3F)F)F

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC2=NC(=CS2)C(=O)O)OCC3=C(C=C(C=C3F)F)F

InChI

InChI=1S/C18H11ClF3NO3S/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)