hex-2-ynylazanium; 4-methylbenzenesulfonate

Systemtic Name: hex-2-ynylazanium; 4-methylbenzenesulfonate Openeye Name: hex-2-ynylammonium; 4-methylbenzenesulfonate CAS Name: hex-2-ynylammonium; 4-methylbenzenesulfonate IUPAC Name: hex-2-ynylazanium; 4-methylbenzenesulfonate Traditional Name: hex-2-ynylammonium tosylate Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3-4-5-6-7/h2-5H,1H3,(H,8,9,10);2-3,6-7H2,1H3