4-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-chloro-2,6-dimethyl-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-chloro-2,6-dimethyl-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CSC(=N2)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CSC(=N2)C(=O)O)C)Cl

InChI

InChI=1S/C13H12ClNO3S/c1-7-3-9(14)4-8(2)11(7)18-5-10-6-19-12(15-10)13(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)