sodium (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate chlorate

Systemtic Name: sodium (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate chlorate Openeye Name: sodium (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) methanesulfonate chlorate CAS Name: sodium methanesulfonic acid (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) ester chlorate IUPAC Name: sodium (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate chlorate Traditional Name: sodium methanesulfonic acid (2-ethoxy-3,3-dimethyl-coumaran-5-yl) ester chlorate Formula: C13H18ClNaO8S MolecularWeight: 392.78499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.[O-]Cl(=O)=O.[Na+]

Isomeric SMILES

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.[O-]Cl(=O)=O.[Na+]

InChI

InChI=1S/C13H18O5S.ClHO3.Na/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12;2-1(3)4;/h6-8,12H,5H2,1-4H3;(H,2,3,4);/q;;+1/p-1