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

Systemtic Name: 4-[2-(2-carboxyethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(2-carboxyethyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(2-carboxyethyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(2-carboxyethyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(2-carboxyethyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C18H13NO8S MolecularWeight: 403.36272

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO8S/c20-15(21)7-8-19-16(22)13-6-5-12(9-14(13)17(19)23)28(26,27)11-3-1-10(2-4-11)18(24)25/h1-6,9H,7-8H2,(H,20,21)(H,24,25)