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

Systemtic Name: 4-[3-(4-octylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butoxy)-3-(4-octylphenyl)prop-2-ynoxy]butanoic acid CAS Name: 4-[1-(4-hydroxy-4-oxobutoxy)-3-(4-octylphenyl)prop-2-ynoxy]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutoxy)-3-(4-octylphenyl)prop-2-ynoxy]butanoic acid Traditional Name: 4-[1-(4-hydroxy-4-keto-butoxy)-3-(4-octylphenyl)prop-2-ynoxy]butyric acid Formula: C25H36O6 MolecularWeight: 432.54974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O6/c1-2-3-4-5-6-7-10-21-13-15-22(16-14-21)17-18-25(30-19-8-11-23(26)27)31-20-9-12-24(28)29/h13-16,25H,2-12,19-20H2,1H3,(H,26,27)(H,28,29)