[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-propyl] methanesulfonate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-propyl] methanesulfonate Openeye Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxypropyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxypropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(1,3-benzodioxol-5-yl)-2-methylol-propyl] ester Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CC1=CC2=C(C=C1)OCO2)CO

Isomeric SMILES

CS(=O)(=O)OCC(CC1=CC2=C(C=C1)OCO2)CO

InChI

InChI=1S/C12H16O6S/c1-19(14,15)18-7-10(6-13)4-9-2-3-11-12(5-9)17-8-16-11/h2-3,5,10,13H,4,6-8H2,1H3