3-[5-iodanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 3-[5-iodanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-(5-iodo-1,3-dioxo-isoindolin-2-yl)benzoic acid CAS Name: 3-(5-iodo-1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 3-(5-iodo-1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 3-(5-iodo-1,3-diketo-isoindolin-2-yl)benzoic acid Formula: C15H8INO4 MolecularWeight: 393.13279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)I)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C15H8INO4/c16-9-4-5-11-12(7-9)14(19)17(13(11)18)10-3-1-2-8(6-10)15(20)21/h1-7H,(H,20,21)