2-methyl-5-methylsulfonyl-4-pentyl-benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-pentyl-benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-pentyl-benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-pentylbenzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-pentylbenzoic acid Traditional Name: 4-amyl-5-mesyl-2-methyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H20O4S/c1-4-5-6-7-11-8-10(2)12(14(15)16)9-13(11)19(3,17)18/h8-9H,4-7H2,1-3H3,(H,15,16)