sodium (2S)-3-sulfanyl-2-(sulfoamino)propanoic acid hydrate

Systemtic Name: sodium (2S)-3-sulfanyl-2-(sulfoamino)propanoic acid hydrate Openeye Name: sodium (2S)-3-sulfanyl-2-(sulfoamino)propanoic acid hydrate CAS Name: sodium (2S)-3-mercapto-2-(sulfoamino)propanoic acid hydrate IUPAC Name: sodium (2S)-3-sulfanyl-2-(sulfoamino)propanoic acid hydrate Traditional Name: sodium (2S)-3-mercapto-2-(sulfoamino)propionic acid hydrate Formula: C3H9NNaO6S2+ MolecularWeight: 242.22643

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)NS(=O)(=O)O)S.O.[Na+]

Isomeric SMILES

C([C@H](C(=O)O)NS(=O)(=O)O)S.O.[Na+]

InChI

InChI=1S/C3H7NO5S2.Na.H2O/c5-3(6)2(1-10)4-11(7,8)9;;/h2,4,10H,1H2,(H,5,6)(H,7,8,9);;1H2/q;+1;/t2-;;/m1../s1