6-[4-ethanoyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]hexanoic acid

Systemtic Name: 6-[4-ethanoyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]hexanoic acid Openeye Name: 6-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]hexanoic acid CAS Name: 6-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propylphenoxy]hexanoic acid IUPAC Name: 6-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propylphenoxy]hexanoic acid Traditional Name: 6-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]hexanoic acid Formula: C22H34O9S MolecularWeight: 474.56496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCOCCOS(=O)(=O)C)C(=O)C)OCCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCOCCOS(=O)(=O)C)C(=O)C)OCCCCCC(=O)O

InChI

InChI=1S/C22H34O9S/c1-4-8-19-20(29-12-7-5-6-9-21(24)25)11-10-18(17(2)23)22(19)30-15-13-28-14-16-31-32(3,26)27/h10-11H,4-9,12-16H2,1-3H3,(H,24,25)