(E)-16-oxidanylhenicos-14-en-12-ynoic acid

Systemtic Name: (E)-16-oxidanylhenicos-14-en-12-ynoic acid Openeye Name: (E)-16-hydroxyhenicos-14-en-12-ynoic acid CAS Name: (E)-16-hydroxyheneicos-14-en-12-ynoic acid IUPAC Name: (E)-16-hydroxyhenicos-14-en-12-ynoic acid Traditional Name: (E)-16-hydroxyheneicos-14-en-12-ynoic acid Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#CCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C#CCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C21H36O3/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21(23)24/h15,18,20,22H,2-9,11,13-14,16-17,19H2,1H3,(H,23,24)/b18-15+