4-[3-(4-hexylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid

Systemtic Name: 4-[3-(4-hexylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid Openeye Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-oxo-butoxy)prop-2-ynoxy]butanoic acid CAS Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid IUPAC Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid Traditional Name: 4-[3-(4-hexylphenyl)-1-(4-hydroxy-4-keto-butoxy)prop-2-ynoxy]butyric acid Formula: C23H32O6 MolecularWeight: 404.49658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C23H32O6/c1-2-3-4-5-8-19-11-13-20(14-12-19)15-16-23(28-17-6-9-21(24)25)29-18-7-10-22(26)27/h11-14,23H,2-10,17-18H2,1H3,(H,24,25)(H,26,27)