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(5E,11E)-15-oxidanyl-16-phenoxy-hexadeca-5,11-dien-13-ynoic acid

(5E,11E)-15-oxidanyl-16-phenoxy-hexadeca-5,11-dien-13-ynoic acid

Systemtic Name:(5E,11E)-15-oxidanyl-16-phenoxy-hexadeca-5,11-dien-13-ynoic acid
Openeye Name:(5E,11E)-15-hydroxy-16-phenoxy-hexadeca-5,11-dien-13-ynoic acid
CAS Name:(5E,11E)-15-hydroxy-16-phenoxyhexadeca-5,11-dien-13-ynoic acid
IUPAC Name:(5E,11E)-15-hydroxy-16-phenoxyhexadeca-5,11-dien-13-ynoic acid
Traditional Name:(5E,11E)-15-hydroxy-16-phenoxy-hexadeca-5,11-dien-13-ynoic acid
Formula: C22H28O4
MolecularWeight: 356.45532
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C#CC=CCCCCC=CCCCC(=O)O)O


Isomeric SMILES

C1=CC=C(C=C1)OCC(C#C/C=C/CCCC/C=C/CCCC(=O)O)O


InChI

InChI=1S/C22H28O4/c23-20(19-26-21-16-12-10-13-17-21)15-11-8-6-4-2-1-3-5-7-9-14-18-22(24)25/h5-8,10,12-13,16-17,20,23H,1-4,9,14,18-19H2,(H,24,25)/b7-5+,8-6+


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