2-(1,3-benzodioxol-5-yl)hexyl methanesulfonate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)hexyl methanesulfonate Openeye Name: 2-(1,3-benzodioxol-5-yl)hexyl methanesulfonate CAS Name: methanesulfonic acid 2-(1,3-benzodioxol-5-yl)hexyl ester IUPAC Name: 2-(1,3-benzodioxol-5-yl)hexyl methanesulfonate Traditional Name: methanesulfonic acid 2-(1,3-benzodioxol-5-yl)hexyl ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COS(=O)(=O)C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCC(COS(=O)(=O)C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20O5S/c1-3-4-5-12(9-19-20(2,15)16)11-6-7-13-14(8-11)18-10-17-13/h6-8,12H,3-5,9-10H2,1-2H3