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

Systemtic Name: 4-[5-(4-carboxyphenyl)sulfonyl-1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-isoindolin-2-yl]-2-hydroxy-benzoic acid CAS Name: 4-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxo-2-isoindolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[5-(4-carboxyphenyl)sulfonyl-1,3-dioxoisoindol-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[5-(4-carboxyphenyl)sulfonyl-1,3-diketo-isoindolin-2-yl]-2-hydroxy-benzoic acid Formula: C22H13NO9S MolecularWeight: 467.40492

Click to see the large picture

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)