2-methoxy-5-pentylsulfonyl-benzoic acid

Systemtic Name: 2-methoxy-5-pentylsulfonyl-benzoic acid Openeye Name: 2-methoxy-5-pentylsulfonyl-benzoic acid CAS Name: 2-methoxy-5-pentylsulfonylbenzoic acid IUPAC Name: 2-methoxy-5-pentylsulfonylbenzoic acid Traditional Name: 5-amylsulfonyl-2-methoxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)O

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C13H18O5S/c1-3-4-5-8-19(16,17)10-6-7-12(18-2)11(9-10)13(14)15/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)