6-[3-(4-heptylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid

Systemtic Name: 6-[3-(4-heptylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid Openeye Name: 6-[3-(4-heptylphenyl)-1-(6-hydroxy-6-oxo-hexoxy)prop-2-ynoxy]hexanoic acid CAS Name: 6-[3-(4-heptylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid IUPAC Name: 6-[3-(4-heptylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid Traditional Name: 6-[3-(4-heptylphenyl)-1-(6-hydroxy-6-keto-hexoxy)prop-2-ynoxy]hexanoic acid Formula: C28H42O6 MolecularWeight: 474.62948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

InChI

InChI=1S/C28H42O6/c1-2-3-4-5-8-13-24-16-18-25(19-17-24)20-21-28(33-22-11-6-9-14-26(29)30)34-23-12-7-10-15-27(31)32/h16-19,28H,2-15,22-23H2,1H3,(H,29,30)(H,31,32)