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

Systemtic Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[5-(4-carboxyphenyl)sulfonyl-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C22H13NO8S MolecularWeight: 451.40552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13NO8S/c24-19-17-9-8-16(32(30,31)15-6-4-12(5-7-15)21(26)27)11-18(17)20(25)23(19)14-3-1-2-13(10-14)22(28)29/h1-11H,(H,26,27)(H,28,29)