4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxidanylidene-1-prop-2-enoxy-butan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxidanylidene-1-prop-2-enoxy-butan-2-yl]azanium Openeye Name: [(1S)-1-allyloxycarbonyl-2-methyl-propyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl]azanium Traditional Name: [(1S)-1-allyloxycarbonyl-2-methyl-propyl]ammonium tosylate Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO2.C7H8O3S/c1-4-5-11-8(10)7(9)6(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-7H,1,5,9H2,2-3H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1