6-[3-(4-hexylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid

Systemtic Name: 6-[3-(4-hexylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid Openeye Name: 6-[3-(4-hexylphenyl)-1-(6-hydroxy-6-oxo-hexoxy)prop-2-ynoxy]hexanoic acid CAS Name: 6-[3-(4-hexylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid IUPAC Name: 6-[3-(4-hexylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid Traditional Name: 6-[3-(4-hexylphenyl)-1-(6-hydroxy-6-keto-hexoxy)prop-2-ynoxy]hexanoic acid Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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