4-[5-(4-chlorophenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-chlorophenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-[5-(4-chlorophenyl)sulfonyl-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 4-[5-(4-chlorophenyl)sulfonyl-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 4-[5-(4-chlorophenyl)sulfonyl-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[5-(4-chlorophenyl)sulfonyl-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C21H12ClNO6S MolecularWeight: 441.84108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H12ClNO6S/c22-13-3-7-15(8-4-13)30(28,29)16-9-10-17-18(11-16)20(25)23(19(17)24)14-5-1-12(2-6-14)21(26)27/h1-11H,(H,26,27)