[(E)-16-bromanyl-2-oxidanyl-hexadec-15-en-3,5,13-triynyl] hydrogen sulfate

Systemtic Name: [(E)-16-bromanyl-2-oxidanyl-hexadec-15-en-3,5,13-triynyl] hydrogen sulfate Openeye Name: [(E)-16-bromo-2-hydroxy-hexadec-15-en-3,5,13-triynyl] hydrogen sulfate CAS Name: sulfuric acid [(E)-16-bromo-2-hydroxyhexadec-15-en-3,5,13-triynyl] ester IUPAC Name: [(E)-16-bromo-2-hydroxyhexadec-15-en-3,5,13-triynyl] hydrogen sulfate Traditional Name: sulfuric acid [(E)-16-bromo-2-hydroxy-hexadec-15-en-3,5,13-triynyl] ester Formula: C16H19BrO5S MolecularWeight: 403.28806

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC#CC#CC(COS(=O)(=O)O)O)CCC#CC=CBr

Isomeric SMILES

C(CCCC#CC#CC(COS(=O)(=O)O)O)CCC#C/C=C/Br

InChI

InChI=1S/C16H19BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,15H2,(H,19,20,21)/b14-12+