5-(6-methylsulfonyloxyhexyl)thiophene-2-carboxylic acid

Systemtic Name: 5-(6-methylsulfonyloxyhexyl)thiophene-2-carboxylic acid Openeye Name: 5-(6-methylsulfonyloxyhexyl)thiophene-2-carboxylic acid CAS Name: 5-(6-methylsulfonyloxyhexyl)-2-thiophenecarboxylic acid IUPAC Name: 5-(6-methylsulfonyloxyhexyl)thiophene-2-carboxylic acid Traditional Name: 5-(6-methylsulfonyloxyhexyl)-2-thenoic acid Formula: C12H18O5S2 MolecularWeight: 306.39832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C12H18O5S2/c1-19(15,16)17-9-5-3-2-4-6-10-7-8-11(18-10)12(13)14/h7-8H,2-6,9H2,1H3,(H,13,14)