4-chloranylbenzenesulfonate dihydrate

Systemtic Name: 4-chloranylbenzenesulfonate dihydrate Openeye Name: 4-chlorobenzenesulfonate dihydrate CAS Name: 4-chlorobenzenesulfonate dihydrate IUPAC Name: 4-chlorobenzenesulfonate dihydrate Traditional Name: 4-chlorobesylate dihydrate Formula: C6H8ClO5S- MolecularWeight: 227.64272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5ClO3S.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,(H,8,9,10);2*1H2/p-1