(4-ethyl-3,4-dihydro-1H-isochromen-3-yl) methanesulfonate

Systemtic Name: (4-ethyl-3,4-dihydro-1H-isochromen-3-yl) methanesulfonate Openeye Name: (4-ethylisochroman-3-yl) methanesulfonate CAS Name: methanesulfonic acid (4-ethyl-3,4-dihydro-1H-2-benzopyran-3-yl) ester IUPAC Name: (4-ethyl-3,4-dihydro-1H-isochromen-3-yl) methanesulfonate Traditional Name: methanesulfonic acid (4-ethylisochroman-3-yl) ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(OCC2=CC=CC=C12)OS(=O)(=O)C

Isomeric SMILES

CCC1C(OCC2=CC=CC=C12)OS(=O)(=O)C

InChI

InChI=1S/C12H16O4S/c1-3-10-11-7-5-4-6-9(11)8-15-12(10)16-17(2,13)14/h4-7,10,12H,3,8H2,1-2H3