4-[4-[(3-iodanylphenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[4-[(3-iodanylphenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-[(3-iodobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-[[(3-iodophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-[(3-iodobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-[(3-iodobenzoyl)amino]phenoxy]phthalic acid Formula: C21H14INO6 MolecularWeight: 503.24343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14INO6/c22-13-3-1-2-12(10-13)19(24)23-14-4-6-15(7-5-14)29-16-8-9-17(20(25)26)18(11-16)21(27)28/h1-11H,(H,23,24)(H,25,26)(H,27,28)