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

Systemtic Name: 4-methylbenzenesulfonate; (1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)azanium Openeye Name: (1-benzyl-2-benzyloxy-2-oxo-ethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)ammonium IUPAC Name: 4-methylbenzenesulfonate; (1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)azanium Traditional Name: (2-benzoxy-1-benzyl-2-keto-ethyl)ammonium tosylate Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)