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

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-1-oxidanylidene-4-phenyl-1-prop-2-enoxy-butan-2-yl]azanium Openeye Name: [(1S)-1-allyloxycarbonyl-3-phenyl-propyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S)-1-oxo-4-phenyl-1-prop-2-enoxybutan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-1-oxo-4-phenyl-1-prop-2-enoxybutan-2-yl]azanium Traditional Name: [(1S)-1-allyloxycarbonyl-3-phenyl-propyl]ammonium tosylate Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CCOC(=O)C(CCC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CCOC(=O)[C@H](CCC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H17NO2.C7H8O3S/c1-2-10-16-13(15)12(14)9-8-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,12H,1,8-10,14H2;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1