3-hexylsulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-hexylsulfonyl-4-methyl-benzoic acid Openeye Name: 3-hexylsulfonyl-4-methyl-benzoic acid CAS Name: 3-hexylsulfonyl-4-methylbenzoic acid IUPAC Name: 3-hexylsulfonyl-4-methylbenzoic acid Traditional Name: 3-hexylsulfonyl-4-methyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C14H20O4S/c1-3-4-5-6-9-19(17,18)13-10-12(14(15)16)8-7-11(13)2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)