4-methylbenzenesulfonate; 2-oxidanylidenepropylazanium

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylidenepropylazanium Openeye Name: acetonylammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-oxopropylammonium IUPAC Name: 4-methylbenzenesulfonate; 2-oxopropylazanium Traditional Name: acetonylammonium tosylate Formula: C10H15NO4S MolecularWeight: 245.2954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H7NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(5)2-4/h2-5H,1H3,(H,8,9,10);2,4H2,1H3