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

Systemtic Name: 3-[5-[4-(4-carboxylatophenyl)sulfonylphenoxy]-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 3-[5-[4-(4-carboxylatophenyl)sulfonylphenoxy]-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 3-[5-[4-(4-carboxylatophenyl)sulfonylphenoxy]-1,3-dioxo-2-isoindolyl]benzoate IUPAC Name: 3-[5-[4-(4-carboxylatophenyl)sulfonylphenoxy]-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 3-[5-[4-(4-carboxylatophenyl)sulfonylphenoxy]-1,3-diketo-isoindolin-2-yl]benzoate Formula: C28H15NO9S-2 MolecularWeight: 541.485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H17NO9S/c30-25-23-13-8-20(15-24(23)26(31)29(25)18-3-1-2-17(14-18)28(34)35)38-19-6-11-22(12-7-19)39(36,37)21-9-4-16(5-10-21)27(32)33/h1-15H,(H,32,33)(H,34,35)/p-2