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

Systemtic Name: 3-[5-(4-carboxyphenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 3-[5-(4-carboxybenzoyl)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 3-[5-[(4-carboxyphenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 3-[5-(4-carboxybenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 3-[5-(4-carboxybenzoyl)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C23H13NO7 MolecularWeight: 415.35182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H13NO7/c25-19(12-4-6-13(7-5-12)22(28)29)14-8-9-17-18(11-14)21(27)24(20(17)26)16-3-1-2-15(10-16)23(30)31/h1-11H,(H,28,29)(H,30,31)