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

Systemtic Name: 5-oxidanyl-6-[6-[(E)-3-oxidanylundec-5-en-1-ynyl]pyridin-2-yl]hexanoic acid Openeye Name: 5-hydroxy-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]hexanoic acid CAS Name: 5-hydroxy-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridinyl]hexanoic acid IUPAC Name: 5-hydroxy-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]pyridin-2-yl]hexanoic acid Traditional Name: 5-hydroxy-6-[6-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-pyridyl]hexanoic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-2-3-4-5-6-7-12-20(24)16-15-18-10-8-11-19(23-18)17-21(25)13-9-14-22(26)27/h6-8,10-11,20-21,24-25H,2-5,9,12-14,17H2,1H3,(H,26,27)/b7-6+