3-(butylsulfonylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(butylsulfonylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(butylsulfonylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-(butylsulfonylmethyl)-2-benzofurancarboxylic acid IUPAC Name: 3-(butylsulfonylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-(butylsulfonylmethyl)coumarilic acid Formula: C14H16O5S MolecularWeight: 296.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16O5S/c1-2-3-8-20(17,18)9-11-10-6-4-5-7-12(10)19-13(11)14(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)