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

Systemtic Name: 4-[5-(4-carboxyphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-[5-(4-carboxyphenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 4-[5-(4-carboxyphenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 4-[5-(4-carboxyphenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[5-(4-carboxyphenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C22H13NO7 MolecularWeight: 403.34112

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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)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H13NO7/c24-19-17-10-9-16(30-15-7-3-13(4-8-15)22(28)29)11-18(17)20(25)23(19)14-5-1-12(2-6-14)21(26)27/h1-11H,(H,26,27)(H,28,29)