4-methylbenzenesulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 4-methylbenzenesulfonic acid; 2-(trimethylammonio)acetate CAS Name: 4-methylbenzenesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 4-methylbenzenesulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: tosylic acid; 2-(trimethylammonio)acetate Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H11NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5(7)8/h2-5H,1H3,(H,8,9,10);4H2,1-3H3