4-ethyl-3-(oxolan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C14H18O5S MolecularWeight: 298.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCO2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2CCCO2

InChI

InChI=1S/C14H18O5S/c1-2-10-5-6-11(14(15)16)8-13(10)20(17,18)9-12-4-3-7-19-12/h5-6,8,12H,2-4,7,9H2,1H3,(H,15,16)