(E)-6-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]hex-5-enoic acid

Systemtic Name: (E)-6-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]hex-5-enoic acid Openeye Name: (E)-6-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]hex-5-enoic acid CAS Name: (E)-6-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]-5-hexenoic acid IUPAC Name: (E)-6-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]hex-5-enoic acid Traditional Name: (E)-6-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]hex-5-enoic acid Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=CC=C1C=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1=CC=CC=C1/C=C/CCCC(=O)O)O

InChI

InChI=1S/C20H28O3/c1-2-3-5-13-19(21)16-15-18-12-9-8-11-17(18)10-6-4-7-14-20(22)23/h6,8-12,15-16,19,21H,2-5,7,13-14H2,1H3,(H,22,23)/b10-6+,16-15+