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

Systemtic Name: 5-oxidanyl-6-[5-[(E)-3-oxidanylundec-5-en-1-ynyl]furan-2-yl]hexanoic acid Openeye Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hexanoic acid CAS Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furanyl]hexanoic acid IUPAC Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]furan-2-yl]hexanoic acid Traditional Name: 5-hydroxy-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hexanoic acid Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1=CC=C(O1)CC(CCCC(=O)O)O)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=CC=C(O1)CC(CCCC(=O)O)O)O

InChI

InChI=1S/C21H30O5/c1-2-3-4-5-6-7-9-17(22)12-13-19-14-15-20(26-19)16-18(23)10-8-11-21(24)25/h6-7,14-15,17-18,22-23H,2-5,8-11,16H2,1H3,(H,24,25)/b7-6+