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

Systemtic Name: 16-(2-cyanophenoxy)hexadeca-5,8,11,14-tetraynoic acid Openeye Name: 16-(2-cyanophenoxy)hexadeca-5,8,11,14-tetraynoic acid CAS Name: 16-(2-cyanophenoxy)hexadeca-5,8,11,14-tetraynoic acid IUPAC Name: 16-(2-cyanophenoxy)hexadeca-5,8,11,14-tetraynoic acid Traditional Name: 16-(2-cyanophenoxy)hexadeca-5,8,11,14-tetraynoic acid Formula: C23H19NO3 MolecularWeight: 357.40186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO3/c24-20-21-16-13-14-17-22(21)27-19-15-11-9-7-5-3-1-2-4-6-8-10-12-18-23(25)26/h13-14,16-17H,3-4,9-10,12,18-19H2,(H,25,26)