calcium 2-(4-chlorophenyl)sulfonylethanoate

Systemtic Name: calcium 2-(4-chlorophenyl)sulfonylethanoate Openeye Name: calcium 2-(4-chlorophenyl)sulfonylacetate CAS Name: calcium 2-(4-chlorophenyl)sulfonylacetate IUPAC Name: calcium 2-(4-chlorophenyl)sulfonylacetate Traditional Name: calcium 2-(4-chlorophenyl)sulfonylacetate Formula: C8H6CaClO4S+ MolecularWeight: 273.72684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CC(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CC(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C8H7ClO4S.Ca/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+2/p-1