4-methylbenzenesulfonate; 1-phenylethylazanium

Systemtic Name: 4-methylbenzenesulfonate; 1-phenylethylazanium Openeye Name: 4-methylbenzenesulfonate; 1-phenylethylammonium CAS Name: 4-methylbenzenesulfonate; 1-phenylethylammonium IUPAC Name: 4-methylbenzenesulfonate; 1-phenylethylazanium Traditional Name: 1-phenylethylammonium tosylate Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C7H8O3S/c1-7(9)8-5-3-2-4-6-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,9H2,1H3;2-5H,1H3,(H,8,9,10)