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

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) propane-2-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C

InChI

InChI=1S/C13H18O4S/c1-9(2)18(14,15)17-10-5-6-12-11(7-10)13(3,4)8-16-12/h5-7,9H,8H2,1-4H3