2-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]terephthalic acid Formula: C22H16ClNO6 MolecularWeight: 425.81854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H16ClNO6/c23-16-6-8-17(9-7-16)30-12-13-1-3-14(4-2-13)20(25)24-19-11-15(21(26)27)5-10-18(19)22(28)29/h1-11H,12H2,(H,24,25)(H,26,27)(H,28,29)