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

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-methylpropane-1-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-10(2)8-19(15,16)18-11-5-6-13-12(7-11)14(3,4)9-17-13/h5-7,10H,8-9H2,1-4H3