(2S)-3-[(2-methyl-1-oxidanyl-propan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2S)-3-[(2-methyl-1-oxidanyl-propan-2-yl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2S)-2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)ammonio]propane-1-sulfonate CAS Name: (2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)ammonio]-1-propanesulfonate IUPAC Name: (2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)azaniumyl]propane-1-sulfonate Traditional Name: (2S)-2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)ammonio]propane-1-sulfonate Formula: C7H17NO5S MolecularWeight: 227.27858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CC(C)(CO)[NH2+]C[C@@H](CS(=O)(=O)[O-])O

InChI

InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)/t6-/m0/s1