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

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-4-methylsulfanyl-1-oxidanylidene-1-prop-2-enoxy-butan-2-yl]azanium Openeye Name: [(1S)-1-allyloxycarbonyl-3-methylsulfanyl-propyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S)-4-(methylthio)-1-oxo-1-prop-2-enoxybutan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-4-methylsulfanyl-1-oxo-1-prop-2-enoxybutan-2-yl]azanium Traditional Name: [(1S)-1-allyloxycarbonyl-3-(methylthio)propyl]ammonium tosylate Formula: C15H23NO5S2 MolecularWeight: 361.47682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO2S.C7H8O3S/c1-3-5-11-8(10)7(9)4-6-12-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,7H,1,4-6,9H2,2H3;2-5H,1H3,(H,8,9,10)/t7-;/m0./s1