2-oxidanylidene-2-[2-(phenylsulfonyl)ethoxy]ethanoic acid; urea; hydrate

Systemtic Name: 2-oxidanylidene-2-[2-(phenylsulfonyl)ethoxy]ethanoic acid; urea; hydrate Openeye Name: 2-[2-(benzenesulfonyl)ethoxy]-2-oxo-acetic acid; urea; hydrate CAS Name: 2-[2-(benzenesulfonyl)ethoxy]-2-oxoacetic acid; urea; hydrate IUPAC Name: 2-[2-(benzenesulfonyl)ethoxy]-2-oxoacetic acid; urea; hydrate Traditional Name: 2-(2-besylethoxy)-2-keto-acetic acid; urea; hydrate Formula: C11H16N2O8S MolecularWeight: 336.31834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C(=O)O.C(=O)(N)N.O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C(=O)O.C(=O)(N)N.O

InChI

InChI=1S/C10H10O6S.CH4N2O.H2O/c11-9(12)10(13)16-6-7-17(14,15)8-4-2-1-3-5-8;2-1(3)4;/h1-5H,6-7H2,(H,11,12);(H4,2,3,4);1H2