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

Systemtic Name: 4-[3-(4-heptylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid Openeye Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-oxo-butoxy)prop-2-ynoxy]butanoic acid CAS Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid IUPAC Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid Traditional Name: 4-[3-(4-heptylphenyl)-1-(4-hydroxy-4-keto-butoxy)prop-2-ynoxy]butyric acid Formula: C24H34O6 MolecularWeight: 418.52316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34O6/c1-2-3-4-5-6-9-20-12-14-21(15-13-20)16-17-24(29-18-7-10-22(25)26)30-19-8-11-23(27)28/h12-15,24H,2-11,18-19H2,1H3,(H,25,26)(H,27,28)