3-nonyl-2-phenyl-benzenesulfonate

Systemtic Name: 3-nonyl-2-phenyl-benzenesulfonate Openeye Name: 3-nonyl-2-phenyl-benzenesulfonate CAS Name: 3-nonyl-2-phenylbenzenesulfonate IUPAC Name: 3-nonyl-2-phenylbenzenesulfonate Traditional Name: 3-nonyl-2-phenyl-besylate Formula: C21H27O3S- MolecularWeight: 359.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H28O3S/c1-2-3-4-5-6-7-9-13-19-16-12-17-20(25(22,23)24)21(19)18-14-10-8-11-15-18/h8,10-12,14-17H,2-7,9,13H2,1H3,(H,22,23,24)/p-1