4-(2-hydroxyethyl)isoindole-1,3-dione; 4-methylbenzenesulfonate

Systemtic Name: 4-(2-hydroxyethyl)isoindole-1,3-dione; 4-methylbenzenesulfonate Openeye Name: 4-(2-hydroxyethyl)isoindoline-1,3-dione; 4-methylbenzenesulfonate CAS Name: 4-(2-hydroxyethyl)isoindole-1,3-dione; 4-methylbenzenesulfonate IUPAC Name: 4-(2-hydroxyethyl)isoindole-1,3-dione; 4-methylbenzenesulfonate Traditional Name: 4-(2-hydroxyethyl)isoindoline-1,3-quinone tosylate Formula: C17H16NO6S- MolecularWeight: 362.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=C(C(=C1)CCO)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=C(C(=C1)CCO)C(=O)NC2=O

InChI

InChI=1S/C10H9NO3.C7H8O3S/c12-5-4-6-2-1-3-7-8(6)10(14)11-9(7)13;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,12H,4-5H2,(H,11,13,14);2-5H,1H3,(H,8,9,10)/p-1