isoindole-1,3-dione; 4-methylbenzenesulfonic acid

Systemtic Name: isoindole-1,3-dione; 4-methylbenzenesulfonic acid Openeye Name: isoindoline-1,3-dione; 4-methylbenzenesulfonic acid CAS Name: isoindole-1,3-dione; 4-methylbenzenesulfonic acid IUPAC Name: isoindole-1,3-dione; 4-methylbenzenesulfonic acid Traditional Name: phthalimide; tosylic acid Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)NC2=O

InChI

InChI=1S/C8H5NO2.C7H8O3S/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,(H,9,10,11);2-5H,1H3,(H,8,9,10)