4-[5-(4-carboxylatophenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoate

Systemtic Name: 4-[5-(4-carboxylatophenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoate Openeye Name: 4-[5-(4-carboxylatophenyl)sulfonyl-1,3-dioxo-isoindolin-2-yl]-2-hydroxy-benzoate CAS Name: 4-[5-(4-carboxylatophenyl)sulfonyl-1,3-dioxo-2-isoindolyl]-2-hydroxybenzoate IUPAC Name: 4-[5-(4-carboxylatophenyl)sulfonyl-1,3-dioxoisoindol-2-yl]-2-hydroxybenzoate Traditional Name: 4-[5-(4-carboxylatophenyl)sulfonyl-1,3-diketo-isoindolin-2-yl]-2-hydroxy-benzoate Formula: C22H11NO9S-2 MolecularWeight: 465.38904

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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)C4=CC(=C(C=C4)C(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)C(=O)[O-])O

InChI

InChI=1S/C22H13NO9S/c24-18-9-12(3-7-16(18)22(29)30)23-19(25)15-8-6-14(10-17(15)20(23)26)33(31,32)13-4-1-11(2-5-13)21(27)28/h1-10,24H,(H,27,28)(H,29,30)/p-2