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pyridin-3-ylmethyl (5E,9E)-6-bromanylicosa-5,9-dienoate

pyridin-3-ylmethyl (5E,9E)-6-bromanylicosa-5,9-dienoate

Systemtic Name:pyridin-3-ylmethyl (5E,9E)-6-bromanylicosa-5,9-dienoate
Openeye Name:3-pyridylmethyl (5E,9E)-6-bromoicosa-5,9-dienoate
CAS Name:(5E,9E)-6-bromoeicosa-5,9-dienoic acid 3-pyridinylmethyl ester
IUPAC Name:pyridin-3-ylmethyl (5E,9E)-6-bromoicosa-5,9-dienoate
Traditional Name:(5E,9E)-6-bromoeicosa-5,9-dienoic acid 3-pyridylmethyl ester
Formula: C26H40BrNO2
MolecularWeight: 478.5053
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCC(=CCCCC(=O)OCC1=CN=CC=C1)Br


Isomeric SMILES

CCCCCCCCCC/C=C/CC/C(=C\CCCC(=O)OCC1=CN=CC=C1)/Br


InChI

InChI=1S/C26H40BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25(27)19-14-15-20-26(29)30-23-24-17-16-21-28-22-24/h11-12,16-17,19,21-22H,2-10,13-15,18,20,23H2,1H3/b12-11+,25-19+


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