2-[(1E)-buta-1,3-dienyl]-3-oxidanyl-octanoic acid

Systemtic Name: 2-[(1E)-buta-1,3-dienyl]-3-oxidanyl-octanoic acid Openeye Name: 2-[(1E)-buta-1,3-dienyl]-3-hydroxy-octanoic acid CAS Name: 2-[(1E)-buta-1,3-dienyl]-3-hydroxyoctanoic acid IUPAC Name: 2-[(1E)-buta-1,3-dienyl]-3-hydroxyoctanoic acid Traditional Name: (3E)-2-(1-hydroxyhexyl)hexa-3,5-dienoic acid Formula: C12H20O3 MolecularWeight: 212.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C=CC=C)C(=O)O)O

Isomeric SMILES

CCCCCC(C(/C=C/C=C)C(=O)O)O

InChI

InChI=1S/C12H20O3/c1-3-5-7-9-11(13)10(12(14)15)8-6-4-2/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3,(H,14,15)/b8-6+