5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-iodanyl-benzoate

Systemtic Name: 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-iodanyl-benzoate Openeye Name: 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-iodo-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-iodobenzoate IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-iodobenzoate Traditional Name: 2-iodo-5-(phthalimidomethyl)benzoate Formula: C16H9INO4- MolecularWeight: 406.15143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)I)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)I)C(=O)[O-]

InChI

InChI=1S/C16H10INO4/c17-13-6-5-9(7-12(13)16(21)22)8-18-14(19)10-3-1-2-4-11(10)15(18)20/h1-7H,8H2,(H,21,22)/p-1