4-methylbenzenesulfonate; 2-(tetradecylamino)ethanoate

Systemtic Name: 4-methylbenzenesulfonate; 2-(tetradecylamino)ethanoate Openeye Name: 4-methylbenzenesulfonate; 2-(tetradecylamino)acetate CAS Name: 4-methylbenzenesulfonate; 2-(tetradecylamino)acetate IUPAC Name: 4-methylbenzenesulfonate; 2-(tetradecylamino)acetate Traditional Name: 2-(myristylamino)acetate tosylate Formula: C23H39NO5S-2 MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33NO2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h17H,2-15H2,1H3,(H,18,19);2-5H,1H3,(H,8,9,10)/p-2