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

Systemtic Name: 4-[2-(4-bromophenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(4-bromophenyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(4-bromophenyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(4-bromophenyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C21H12BrNO6S MolecularWeight: 486.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H12BrNO6S/c22-13-3-5-14(6-4-13)23-19(24)17-10-9-16(11-18(17)20(23)25)30(28,29)15-7-1-12(2-8-15)21(26)27/h1-11H,(H,26,27)