2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]terephthalic acid Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO6/c1-9-6-11(3-5-13(9)18)25-8-15(20)19-14-7-10(16(21)22)2-4-12(14)17(23)24/h2-7H,8H2,1H3,(H,19,20)(H,21,22)(H,23,24)