(1-oxidanyl-1-phenyl-propan-2-yl)azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: (1-oxidanyl-1-phenyl-propan-2-yl)azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: (1-hydroxy-1-phenylpropan-2-yl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: (1-hydroxy-1-phenylpropan-2-yl)azanium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C13H19NO7 MolecularWeight: 301.29246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)[NH3+].[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C9H13NO.C4H6O6/c1-7(10)9(11)8-5-3-2-4-6-8;5-1(3(7)8)2(6)4(9)10/h2-7,9,11H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1