4-methylbenzenesulfonate; oct-2-ynylazanium

Systemtic Name: 4-methylbenzenesulfonate; oct-2-ynylazanium Openeye Name: 4-methylbenzenesulfonate; oct-2-ynylammonium CAS Name: 4-methylbenzenesulfonate; oct-2-ynylammonium IUPAC Name: 4-methylbenzenesulfonate; oct-2-ynylazanium Traditional Name: oct-2-ynylammonium tosylate Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N.C7H8O3S/c1-2-3-4-5-6-7-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8-9H2,1H3;2-5H,1H3,(H,8,9,10)