4-methylbenzenesulfonate; [(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]azanium Openeye Name: [(1R)-2-benzyloxy-1-methyl-2-oxo-ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2R)-1-oxo-1-phenylmethoxypropan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2R)-1-oxo-1-phenylmethoxypropan-2-yl]azanium Traditional Name: [(1R)-2-benzoxy-2-keto-1-methyl-ethyl]ammonium tosylate Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m1./s1