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

Systemtic Name: 6-[3-(4-decylphenyl)-1-(6-oxidanyl-6-oxidanylidene-hexoxy)prop-2-ynoxy]hexanoic acid Openeye Name: 6-[3-(4-decylphenyl)-1-(6-hydroxy-6-oxo-hexoxy)prop-2-ynoxy]hexanoic acid CAS Name: 6-[3-(4-decylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid IUPAC Name: 6-[3-(4-decylphenyl)-1-(6-hydroxy-6-oxohexoxy)prop-2-ynoxy]hexanoic acid Traditional Name: 6-[3-(4-decylphenyl)-1-(6-hydroxy-6-keto-hexoxy)prop-2-ynoxy]hexanoic acid Formula: C31H48O6 MolecularWeight: 516.70922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48O6/c1-2-3-4-5-6-7-8-11-16-27-19-21-28(22-20-27)23-24-31(36-25-14-9-12-17-29(32)33)37-26-15-10-13-18-30(34)35/h19-22,31H,2-18,25-26H2,1H3,(H,32,33)(H,34,35)