2-hexylsulfonylbenzoate

Systemtic Name: 2-hexylsulfonylbenzoate Openeye Name: 2-hexylsulfonylbenzoate CAS Name: 2-hexylsulfonylbenzoate IUPAC Name: 2-hexylsulfonylbenzoate Traditional Name: 2-hexylsulfonylbenzoate Formula: C13H17O4S- MolecularWeight: 269.33668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C13H18O4S/c1-2-3-4-7-10-18(16,17)12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15)/p-1