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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-5-8-19(15,16)18-11-6-7-13-12(9-11)14(2,3)10-17-13/h6-7,9H,4-5,8,10H2,1-3H3