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

Systemtic Name: 4-[3-(4-decylphenyl)-1-(4-oxidanyl-4-oxidanylidene-butoxy)prop-2-ynoxy]butanoic acid Openeye Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-oxo-butoxy)prop-2-ynoxy]butanoic acid CAS Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid IUPAC Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-oxobutoxy)prop-2-ynoxy]butanoic acid Traditional Name: 4-[3-(4-decylphenyl)-1-(4-hydroxy-4-keto-butoxy)prop-2-ynoxy]butyric acid Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C#CC(OCCCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C27H40O6/c1-2-3-4-5-6-7-8-9-12-23-15-17-24(18-16-23)19-20-27(32-21-10-13-25(28)29)33-22-11-14-26(30)31/h15-18,27H,2-14,21-22H2,1H3,(H,28,29)(H,30,31)