sodium 2-butyl-6-phenyl-benzenesulfonate

Systemtic Name: sodium 2-butyl-6-phenyl-benzenesulfonate Openeye Name: sodium 2-butyl-6-phenyl-benzenesulfonate CAS Name: sodium 2-butyl-6-phenylbenzenesulfonate IUPAC Name: sodium 2-butyl-6-phenylbenzenesulfonate Traditional Name: sodium 2-butyl-6-phenyl-besylate Formula: C16H17NaO3S MolecularWeight: 312.35915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H18O3S.Na/c1-2-3-8-14-11-7-12-15(16(14)20(17,18)19)13-9-5-4-6-10-13;/h4-7,9-12H,2-3,8H2,1H3,(H,17,18,19);/q;+1/p-1