sodium 2-chloranyl-6-ethyl-benzenesulfonate

Systemtic Name: sodium 2-chloranyl-6-ethyl-benzenesulfonate Openeye Name: sodium 2-chloro-6-ethyl-benzenesulfonate CAS Name: sodium 2-chloro-6-ethylbenzenesulfonate IUPAC Name: sodium 2-chloro-6-ethylbenzenesulfonate Traditional Name: sodium 2-chloro-6-ethyl-besylate Formula: C8H8ClNaO3S MolecularWeight: 242.65509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C(=CC=C1)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H9ClO3S.Na/c1-2-6-4-3-5-7(9)8(6)13(10,11)12;/h3-5H,2H2,1H3,(H,10,11,12);/q;+1/p-1