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

Systemtic Name: (E)-6-[5-[(E)-3-oxidanylundec-5-en-1-ynyl]furan-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hex-5-enoic acid CAS Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furanyl]-5-hexenoic acid IUPAC Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]furan-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[5-[(E)-3-hydroxyundec-5-en-1-ynyl]-2-furyl]hex-5-enoic acid Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-2-3-4-5-6-8-11-18(22)14-15-20-17-16-19(25-20)12-9-7-10-13-21(23)24/h6,8-9,12,16-18,22H,2-5,7,10-11,13H2,1H3,(H,23,24)/b8-6+,12-9+