2-[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-bromo-2-chloro-6-methyl-phenoxy)acetyl]amino]terephthalic acid Formula: C17H13BrClNO6 MolecularWeight: 442.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl)Br

InChI

InChI=1S/C17H13BrClNO6/c1-8-4-10(18)6-12(19)15(8)26-7-14(21)20-13-5-9(16(22)23)2-3-11(13)17(24)25/h2-6H,7H2,1H3,(H,20,21)(H,22,23)(H,24,25)