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

Systemtic Name: 6-[3-(4-octylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid Openeye Name: 6-[1-(6-hydroxy-6-oxo-hexoxy)-3-(4-octylphenyl)prop-2-ynoxy]hexanoic acid CAS Name: 6-[1-(6-hydroxy-6-oxohexoxy)-3-(4-octylphenyl)prop-2-ynoxy]hexanoic acid IUPAC Name: 6-[1-(6-hydroxy-6-oxohexoxy)-3-(4-octylphenyl)prop-2-ynoxy]hexanoic acid Traditional Name: 6-[1-(6-hydroxy-6-keto-hexoxy)-3-(4-octylphenyl)prop-2-ynoxy]hexanoic acid Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC(OCCCCCC(=O)O)OCCCCCC(=O)O

InChI

InChI=1S/C29H44O6/c1-2-3-4-5-6-9-14-25-17-19-26(20-18-25)21-22-29(34-23-12-7-10-15-27(30)31)35-24-13-8-11-16-28(32)33/h17-20,29H,2-16,23-24H2,1H3,(H,30,31)(H,32,33)