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

Systemtic Name: 2-[2-(2-chloranyl-4-phenyl-phenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2-chloro-4-phenylphenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]terephthalic acid Formula: C22H16ClNO6 MolecularWeight: 425.81854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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