triazanium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-sulfanidylcarbothioyl-amino]ethanoate hydrate

Systemtic Name: triazanium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-sulfanidylcarbothioyl-amino]ethanoate hydrate Openeye Name: triammonium 2-[(2-oxido-2-oxo-ethyl)-sulfidocarbothioyl-amino]acetate hydrate CAS Name: triammonium 2-[(2-oxido-2-oxoethyl)-[sulfanylidene(sulfido)methyl]amino]acetate hydrate IUPAC Name: triazanium 2-[(2-oxido-2-oxoethyl)-sulfidocarbothioylamino]acetate hydrate Traditional Name: triammonium 2-[(2-keto-2-oxido-ethyl)-sulfidocarbothioyl-amino]acetate hydrate Formula: C5H18N4O5S2 MolecularWeight: 278.35022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])N(CC(=O)[O-])C(=S)[S-].[NH4+].[NH4+].[NH4+].O

Isomeric SMILES

C(C(=O)[O-])N(CC(=O)[O-])C(=S)[S-].[NH4+].[NH4+].[NH4+].O

InChI

InChI=1S/C5H7NO4S2.3H3N.H2O/c7-3(8)1-6(5(11)12)2-4(9)10;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;1H2