4-methylbenzenesulfonate; 2-methylpropylazanium

Systemtic Name: 4-methylbenzenesulfonate; 2-methylpropylazanium Openeye Name: isobutylammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-methylpropylammonium IUPAC Name: 4-methylbenzenesulfonate; 2-methylpropylazanium Traditional Name: isobutylammonium tosylate Formula: C11H19NO3S MolecularWeight: 245.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(2)3-5/h2-5H,1H3,(H,8,9,10);4H,3,5H2,1-2H3