16-(2-bromanylphenoxy)hexadeca-5,8,11,14-tetraynoic acid

Systemtic Name: 16-(2-bromanylphenoxy)hexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(2-bromophenoxy)hexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-(2-bromophenoxy)hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(2-bromophenoxy)hexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-(2-bromophenoxy)hexadeca-5,8,11,14-tetraynoic acid Formula: C22H19BrO3 MolecularWeight: 411.28846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC#CCC#CCC#CCC#CCCCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)OCC#CCC#CCC#CCC#CCCCC(=O)O)Br

InChI

InChI=1S/C22H19BrO3/c23-20-16-13-14-17-21(20)26-19-15-11-9-7-5-3-1-2-4-6-8-10-12-18-22(24)25/h13-14,16-17H,3-4,9-10,12,18-19H2,(H,24,25)