ethyne; 4-methylbenzenesulfonate; bromide

Systemtic Name: ethyne; 4-methylbenzenesulfonate; bromide Openeye Name: acetylene; 4-methylbenzenesulfonate; bromide CAS Name: acetylene; 4-methylbenzenesulfonate; bromide IUPAC Name: acetylene; 4-methylbenzenesulfonate; bromide Traditional Name: acetylene bromide tosylate Formula: C9H9BrO3S-2 MolecularWeight: 277.13496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H2.BrH/c1-6-2-4-7(5-3-6)11(8,9)10;1-2;/h2-5H,1H3,(H,8,9,10);1-2H;1H/p-2