2-heptylbenzenesulfonate

Systemtic Name: 2-heptylbenzenesulfonate Openeye Name: 2-heptylbenzenesulfonate CAS Name: 2-heptylbenzenesulfonate IUPAC Name: 2-heptylbenzenesulfonate Traditional Name: 2-heptylbesylate Formula: C13H19O3S- MolecularWeight: 255.35316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C13H20O3S/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)17(14,15)16/h7-8,10-11H,2-6,9H2,1H3,(H,14,15,16)/p-1