(E)-6-[5-oxidanyl-3-[(1E,5E)-undeca-1,5-dienyl]furan-2-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[5-oxidanyl-3-[(1E,5E)-undeca-1,5-dienyl]furan-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[5-hydroxy-3-[(1E,5E)-undeca-1,5-dienyl]-2-furyl]hex-5-enoic acid CAS Name: (E)-6-[5-hydroxy-3-[(1E,5E)-undeca-1,5-dienyl]-2-furanyl]-5-hexenoic acid IUPAC Name: (E)-6-[5-hydroxy-3-[(1E,5E)-undeca-1,5-dienyl]furan-2-yl]hex-5-enoic acid Traditional Name: (E)-6-[5-hydroxy-3-[(1E,5E)-undeca-1,5-dienyl]-2-furyl]hex-5-enoic acid Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCC=CC1=C(OC(=C1)O)C=CCCCC(=O)O

Isomeric SMILES

CCCCC/C=C/CC/C=C/C1=C(OC(=C1)O)/C=C/CCCC(=O)O

InChI

InChI=1S/C21H30O4/c1-2-3-4-5-6-7-8-9-11-14-18-17-21(24)25-19(18)15-12-10-13-16-20(22)23/h6-7,11-12,14-15,17,24H,2-5,8-10,13,16H2,1H3,(H,22,23)/b7-6+,14-11+,15-12+