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

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 3-chloranylpropane-1-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C13H17ClO4S MolecularWeight: 304.78968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CCCCl)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)CCCCl)C

InChI

InChI=1S/C13H17ClO4S/c1-13(2)9-17-12-5-4-10(8-11(12)13)18-19(15,16)7-3-6-14/h4-5,8H,3,6-7,9H2,1-2H3