2,2,2-tris(chloranyl)ethyl 2-oxidanylidene-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 2-oxidanylidene-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate Openeye Name: 2,2,2-trichloroethyl 2-oxo-5-(phenylsulfanylmethyl)oxazolidine-3-sulfonate CAS Name: 2-oxo-5-[(phenylthio)methyl]-3-oxazolidinesulfonic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 2-oxo-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate Traditional Name: 2-keto-5-[(phenylthio)methyl]oxazolidine-3-sulfonic acid 2,2,2-trichloroethyl ester Formula: C12H12Cl3NO5S2 MolecularWeight: 420.71638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)N1S(=O)(=O)OCC(Cl)(Cl)Cl)CSC2=CC=CC=C2

Isomeric SMILES

C1C(OC(=O)N1S(=O)(=O)OCC(Cl)(Cl)Cl)CSC2=CC=CC=C2

InChI

InChI=1S/C12H12Cl3NO5S2/c13-12(14,15)8-20-23(18,19)16-6-9(21-11(16)17)7-22-10-4-2-1-3-5-10/h1-5,9H,6-8H2