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

Systemtic Name: 4-[3-(4-nonylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid Openeye Name: 4-[1-(4-hydroxy-4-oxo-butoxy)-3-(4-nonylphenyl)prop-2-ynoxy]butanoic acid CAS Name: 4-[1-(4-hydroxy-4-oxobutoxy)-3-(4-nonylphenyl)prop-2-ynoxy]butanoic acid IUPAC Name: 4-[1-(4-hydroxy-4-oxobutoxy)-3-(4-nonylphenyl)prop-2-ynoxy]butanoic acid Traditional Name: 4-[1-(4-hydroxy-4-keto-butoxy)-3-(4-nonylphenyl)prop-2-ynoxy]butyric acid Formula: C26H38O6 MolecularWeight: 446.57632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C26H38O6/c1-2-3-4-5-6-7-8-11-22-14-16-23(17-15-22)18-19-26(31-20-9-12-24(27)28)32-21-10-13-25(29)30/h14-17,26H,2-13,20-21H2,1H3,(H,27,28)(H,29,30)