2-hydroxyethylazanium; 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: 2-hydroxyethylazanium; 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: 2-hydroxyethylammonium; 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-hydroxyethylammonium; 2-[(4-nitrophenyl)thio]acetate IUPAC Name: 2-hydroxyethylazanium; 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-hydroxyethylammonium; 2-[(4-nitrophenyl)thio]acetate Formula: C10H14N2O5S MolecularWeight: 274.29356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C8H7NO4S.C2H7NO/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13;3-1-2-4/h1-4H,5H2,(H,10,11);4H,1-3H2