[(E)-16-bromanylhexadec-15-en-3,5,11,13-tetraynyl] hydrogen sulfate

Systemtic Name: [(E)-16-bromanylhexadec-15-en-3,5,11,13-tetraynyl] hydrogen sulfate Openeye Name: [(E)-16-bromohexadec-15-en-3,5,11,13-tetraynyl] hydrogen sulfate CAS Name: sulfuric acid [(E)-16-bromohexadec-15-en-3,5,11,13-tetraynyl] ester IUPAC Name: [(E)-16-bromohexadec-15-en-3,5,11,13-tetraynyl] hydrogen sulfate Traditional Name: sulfuric acid [(E)-16-bromohexadec-15-en-3,5,11,13-tetraynyl] ester Formula: C16H15BrO4S MolecularWeight: 383.2569

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC#CC#CC=CBr)CC#CC#CCCOS(=O)(=O)O

Isomeric SMILES

C(CCC#CC#C/C=C/Br)CC#CC#CCCOS(=O)(=O)O

InChI

InChI=1S/C16H15BrO4S/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-22(18,19)20/h13,15H,1-4,14,16H2,(H,18,19,20)/b15-13+