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

Systemtic Name: 4-[4-ethanoyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]butanoic acid Openeye Name: 4-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]butanoic acid CAS Name: 4-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propylphenoxy]butanoic acid IUPAC Name: 4-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propylphenoxy]butanoic acid Traditional Name: 4-[4-acetyl-3-[2-(2-methylsulfonyloxyethoxy)ethoxy]-2-propyl-phenoxy]butyric acid Formula: C20H30O9S MolecularWeight: 446.5118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O9S/c1-4-6-17-18(27-10-5-7-19(22)23)9-8-16(15(2)21)20(17)28-13-11-26-12-14-29-30(3,24)25/h8-9H,4-7,10-14H2,1-3H3,(H,22,23)