(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: (1-cyano-2-ethoxy-2-oxidanylidene-ethyl)azanium; 4-methylbenzenesulfonate Openeye Name: (1-cyano-2-ethoxy-2-oxo-ethyl)ammonium; 4-methylbenzenesulfonate CAS Name: (1-cyano-2-ethoxy-2-oxoethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: (1-cyano-2-ethoxy-2-oxoethyl)azanium; 4-methylbenzenesulfonate Traditional Name: (1-cyano-2-ethoxy-2-keto-ethyl)ammonium tosylate Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3