4-methylbenzenesulfonate; propan-2-amine

Systemtic Name: 4-methylbenzenesulfonate; propan-2-amine Openeye Name: 4-methylbenzenesulfonate; propan-2-amine CAS Name: 4-methylbenzenesulfonate; 2-propanamine IUPAC Name: 4-methylbenzenesulfonate; propan-2-amine Traditional Name: isopropylamine tosylate Formula: C10H16NO3S- MolecularWeight: 230.30394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H9N/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(2)4/h2-5H,1H3,(H,8,9,10);3H,4H2,1-2H3/p-1