4-methylbenzenesulfonate; [(2S,3S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S,3S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-benzyloxycarbonyl-2-methyl-butyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S,3S)-3-methyl-1-oxo-1-phenylmethoxypentan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S,3S)-3-methyl-1-oxo-1-phenylmethoxypentan-2-yl]azanium Traditional Name: [(1S,2S)-1-carbobenzoxy-2-methyl-butyl]ammonium tosylate Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC=CC=C1)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC=C1)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1