4-methylbenzenesulfonate; [(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]ammonium tosylate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC(C(=O)O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C9H11NO2.C7H8O3S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,8H,6,10H2,(H,11,12);2-5H,1H3,(H,8,9,10)/t8-;/m0./s1