4-methylbenzenesulfonate; (2-oxidanylidene-2-phenylmethoxy-ethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; (2-oxidanylidene-2-phenylmethoxy-ethyl)azanium Openeye Name: (2-benzyloxy-2-oxo-ethyl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (2-oxo-2-phenylmethoxyethyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; (2-oxo-2-phenylmethoxyethyl)azanium Traditional Name: (2-benzoxy-2-keto-ethyl)ammonium tosylate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)