4-methylbenzenesulfonate; 2-oxidanylisoindole-1,3-dione

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylisoindole-1,3-dione Openeye Name: 2-hydroxyisoindoline-1,3-dione; 4-methylbenzenesulfonate CAS Name: 2-hydroxyisoindole-1,3-dione; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxyisoindole-1,3-dione; 4-methylbenzenesulfonate Traditional Name: 2-hydroxyisoindoline-1,3-quinone tosylate Formula: C15H12NO6S- MolecularWeight: 334.32388

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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)N(C2=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)N(C2=O)O

InChI

InChI=1S/C8H5NO3.C7H8O3S/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,12H;2-5H,1H3,(H,8,9,10)/p-1