4-methylbenzenesulfonate; (1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; (1-oxidanylidene-3-phenyl-1-prop-2-enoxy-propan-2-yl)azanium Openeye Name: (2-allyloxy-1-benzyl-2-oxo-ethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; (1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl)azanium Traditional Name: (2-allyloxy-1-benzyl-2-keto-ethyl)ammonium tosylate Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2.C7H8O3S/c1-2-8-15-12(14)11(13)9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,11H,1,8-9,13H2;2-5H,1H3,(H,8,9,10)