methanesulfonate; 4-(1-oxidanylbutyl)-2,3-dihydroisoindol-1-one

Systemtic Name: methanesulfonate; 4-(1-oxidanylbutyl)-2,3-dihydroisoindol-1-one Openeye Name: 4-(1-hydroxybutyl)isoindolin-1-one; methanesulfonate CAS Name: 4-(1-hydroxybutyl)-2,3-dihydroisoindol-1-one; methanesulfonate IUPAC Name: 4-(1-hydroxybutyl)-2,3-dihydroisoindol-1-one; methanesulfonate Traditional Name: 4-(1-hydroxybutyl)isoindolin-1-one mesylate Formula: C13H18NO5S- MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC2=C1CNC2=O)O.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC2=C1CNC2=O)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO2.CH4O3S/c1-2-4-11(14)8-5-3-6-9-10(8)7-13-12(9)15;1-5(2,3)4/h3,5-6,11,14H,2,4,7H2,1H3,(H,13,15);1H3,(H,2,3,4)/p-1