sodium 2-(2-chloranylethanoyl)-6-oxidanyl-benzenesulfonate

Systemtic Name: sodium 2-(2-chloranylethanoyl)-6-oxidanyl-benzenesulfonate Openeye Name: sodium 2-(2-chloroacetyl)-6-hydroxy-benzenesulfonate CAS Name: sodium 2-(2-chloro-1-oxoethyl)-6-hydroxybenzenesulfonate IUPAC Name: sodium 2-(2-chloroacetyl)-6-hydroxybenzenesulfonate Traditional Name: sodium 2-(2-chloroacetyl)-6-hydroxy-besylate Formula: C8H6ClNaO5S MolecularWeight: 272.63801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClO5S.Na/c9-4-7(11)5-2-1-3-6(10)8(5)15(12,13)14;/h1-3,10H,4H2,(H,12,13,14);/q;+1/p-1