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(9E,12Z,14Z,16S)-16-oxidanylhenicosa-9,12,14-trienoic acid

(9E,12Z,14Z,16S)-16-oxidanylhenicosa-9,12,14-trienoic acid

Systemtic Name:(9E,12Z,14Z,16S)-16-oxidanylhenicosa-9,12,14-trienoic acid
Openeye Name:(9E,12Z,14Z,16S)-16-hydroxyhenicosa-9,12,14-trienoic acid
CAS Name:(9E,12Z,14Z,16S)-16-hydroxyheneicosa-9,12,14-trienoic acid
IUPAC Name:(9E,12Z,14Z,16S)-16-hydroxyhenicosa-9,12,14-trienoic acid
Traditional Name:(9E,12Z,14Z,16S)-16-hydroxyheneicosa-9,12,14-trienoic acid
Formula: C21H36O3
MolecularWeight: 336.50874
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=CCC=CCCCCCCCC(=O)O)O


Isomeric SMILES

CCCCC[C@@H](/C=C\C=C/C/C=C/CCCCCCCC(=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/h4,6,10,12,15,18,20,22H,2-3,5,7-9,11,13-14,16-17,19H2,1H3,(H,23,24)/b6-4+,12-10-,18-15-/t20-/m0/s1


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