3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl methanesulfonate

Systemtic Name: 3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl methanesulfonate Openeye Name: 3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl ester IUPAC Name: 3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(3a,4-dihydro-1,3-benzodioxol-2-yl)propyl ester Formula: C11H16O5S MolecularWeight: 260.30674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC1OC2CC=CC=C2O1

Isomeric SMILES

CS(=O)(=O)OCCCC1OC2CC=CC=C2O1

InChI

InChI=1S/C11H16O5S/c1-17(12,13)14-8-4-7-11-15-9-5-2-3-6-10(9)16-11/h2-3,5,10-11H,4,6-8H2,1H3