4-methylbenzenesulfonate; 2-methylpropanamide

Systemtic Name: 4-methylbenzenesulfonate; 2-methylpropanamide Openeye Name: 4-methylbenzenesulfonate; 2-methylpropanamide CAS Name: 4-methylbenzenesulfonate; 2-methylpropanamide IUPAC Name: 4-methylbenzenesulfonate; 2-methylpropanamide Traditional Name: isobutyramide tosylate Formula: C11H16NO4S- MolecularWeight: 258.31404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(2)4(5)6/h2-5H,1H3,(H,8,9,10);3H,1-2H3,(H2,5,6)/p-1