(E)-6-[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]hex-5-enoic acid CAS Name: (E)-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridinyl]-5-hexenoic acid IUPAC Name: (E)-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]pyridin-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]hex-5-enoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1=NC(=CC=C1)C=CCCCC(=O)O)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=NC(=CC=C1)/C=C/CCCC(=O)O)O

InChI

InChI=1S/C22H29NO3/c1-2-3-4-5-6-9-15-21(24)18-17-20-14-11-13-19(23-20)12-8-7-10-16-22(25)26/h6,8-9,11-14,21,24H,2-5,7,10,15-16H2,1H3,(H,25,26)/b9-6+,12-8+