4-[2-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(2-chloro-5-iodo-benzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(2-chloro-5-iodophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(2-chloro-5-iodobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(2-chloro-5-iodo-benzoyl)amino]phenoxy]phthalic acid Formula: C21H13ClINO6 MolecularWeight: 537.68849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)I)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC(=C2)I)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13ClINO6/c22-16-8-5-11(23)9-15(16)19(25)24-17-3-1-2-4-18(17)30-12-6-7-13(20(26)27)14(10-12)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)