2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(4-chloro-2,6-dimethylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]terephthalic acid Formula: C18H16ClNO6 MolecularWeight: 377.77574

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO6/c1-9-5-12(19)6-10(2)16(9)26-8-15(21)20-14-7-11(17(22)23)3-4-13(14)18(24)25/h3-7H,8H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)