methanesulfonate; 3-(1-oxidanylpropyl)-2,3-dihydroisoindol-1-one

Systemtic Name: methanesulfonate; 3-(1-oxidanylpropyl)-2,3-dihydroisoindol-1-one Openeye Name: 3-(1-hydroxypropyl)isoindolin-1-one; methanesulfonate CAS Name: 3-(1-hydroxypropyl)-2,3-dihydroisoindol-1-one; methanesulfonate IUPAC Name: 3-(1-hydroxypropyl)-2,3-dihydroisoindol-1-one; methanesulfonate Traditional Name: 3-(1-hydroxypropyl)isoindolin-1-one mesylate Formula: C12H16NO5S- MolecularWeight: 286.32414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2=CC=CC=C2C(=O)N1)O.CS(=O)(=O)[O-]

Isomeric SMILES

CCC(C1C2=CC=CC=C2C(=O)N1)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H13NO2.CH4O3S/c1-2-9(13)10-7-5-3-4-6-8(7)11(14)12-10;1-5(2,3)4/h3-6,9-10,13H,2H2,1H3,(H,12,14);1H3,(H,2,3,4)/p-1