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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1