4-(1,3-benzodioxol-5-yl)butan-2-yl methanesulfonate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)butan-2-yl methanesulfonate Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid 4-(1,3-benzodioxol-5-yl)butan-2-yl ester IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl] ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)OS(=O)(=O)C

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)OS(=O)(=O)C

InChI

InChI=1S/C12H16O5S/c1-9(17-18(2,13)14)3-4-10-5-6-11-12(7-10)16-8-15-11/h5-7,9H,3-4,8H2,1-2H3