4-[2-(3-iodanylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[2-(3-iodanylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-iodophenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-iodophenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-iodophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(3-iodophenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C21H12INO6S MolecularWeight: 533.29255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H12INO6S/c22-13-2-1-3-14(10-13)23-19(24)17-9-8-16(11-18(17)20(23)25)30(28,29)15-6-4-12(5-7-15)21(26)27/h1-11H,(H,26,27)