(2-ethylsulfanyl-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Systemtic Name: (2-ethylsulfanyl-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate Openeye Name: (2-ethylsulfanyl-3,3-dimethyl-2H-benzofuran-5-yl) methanesulfonate CAS Name: methanesulfonic acid [2-(ethylthio)-3,3-dimethyl-2H-benzofuran-5-yl] ester IUPAC Name: (2-ethylsulfanyl-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate Traditional Name: methanesulfonic acid [2-(ethylthio)-3,3-dimethyl-coumaran-5-yl] ester Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C

Isomeric SMILES

CCSC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C

InChI

InChI=1S/C13H18O4S2/c1-5-18-12-13(2,3)10-8-9(17-19(4,14)15)6-7-11(10)16-12/h6-8,12H,5H2,1-4H3