2-azaniumyl-3-oxidanyl-3-oxidanylidene-propane-1-sulfinate hydrate

Systemtic Name: 2-azaniumyl-3-oxidanyl-3-oxidanylidene-propane-1-sulfinate hydrate Openeye Name: 2-azaniumyl-3-hydroxy-3-oxo-propane-1-sulfinate hydrate CAS Name: 2-ammonio-3-hydroxy-3-oxo-1-propanesulfinate hydrate IUPAC Name: 2-azaniumyl-3-hydroxy-3-oxopropane-1-sulfinate hydrate Traditional Name: 2-ammonio-3-hydroxy-3-keto-propane-1-sulfinate hydrate Formula: C3H9NO5S MolecularWeight: 171.17226

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)[NH3+])S(=O)[O-].O

Isomeric SMILES

C(C(C(=O)O)[NH3+])S(=O)[O-].O

InChI

InChI=1S/C3H7NO4S.H2O/c4-2(3(5)6)1-9(7)8;/h2H,1,4H2,(H,5,6)(H,7,8);1H2