(2-bromanyl-5,5-dimethyl-hex-3-ynyl)sulfonylbenzene

Systemtic Name: (2-bromanyl-5,5-dimethyl-hex-3-ynyl)sulfonylbenzene Openeye Name: (2-bromo-5,5-dimethyl-hex-3-ynyl)sulfonylbenzene CAS Name: (2-bromo-5,5-dimethylhex-3-ynyl)sulfonylbenzene IUPAC Name: (2-bromo-5,5-dimethylhex-3-ynyl)sulfonylbenzene Traditional Name: (2-bromo-5,5-dimethyl-hex-3-ynyl)sulfonylbenzene Formula: C14H17BrO2S MolecularWeight: 329.25258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC(CS(=O)(=O)C1=CC=CC=C1)Br

Isomeric SMILES

CC(C)(C)C#CC(CS(=O)(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C14H17BrO2S/c1-14(2,3)10-9-12(15)11-18(16,17)13-7-5-4-6-8-13/h4-8,12H,11H2,1-3H3