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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanyl-2H-1-benzofuran-5-yl)ethanesulfonate Openeye Name: 1-(2-hydroxy-3,3-dimethyl-2H-benzofuran-5-yl)ethanesulfonate CAS Name: 1-(2-hydroxy-3,3-dimethyl-2H-benzofuran-5-yl)ethanesulfonate IUPAC Name: 1-(2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl)ethanesulfonate Traditional Name: 1-(2-hydroxy-3,3-dimethyl-coumaran-5-yl)ethanesulfonate Formula: C12H15O5S- MolecularWeight: 271.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C2(C)C)O)S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(C2(C)C)O)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16O5S/c1-7(18(14,15)16)8-4-5-10-9(6-8)12(2,3)11(13)17-10/h4-7,11,13H,1-3H3,(H,14,15,16)/p-1