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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C

Isomeric SMILES

CCCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C

InChI

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