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

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-oxidanylethanesulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 2-hydroxyethanesulfonate CAS Name: 2-hydroxyethanesulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-hydroxyethanesulfonate Traditional Name: 2-hydroxyethanesulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CCO)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CCO)C

InChI

InChI=1S/C12H16O5S/c1-12(2)8-16-11-4-3-9(7-10(11)12)17-18(14,15)6-5-13/h3-4,7,13H,5-6,8H2,1-2H3