2-[3-[3-(3-bromanylpropoxy)propoxy]-4-ethanoyl-2-propyl-phenoxy]butanoic acid

Systemtic Name: 2-[3-[3-(3-bromanylpropoxy)propoxy]-4-ethanoyl-2-propyl-phenoxy]butanoic acid Openeye Name: 2-[4-acetyl-3-[3-(3-bromopropoxy)propoxy]-2-propyl-phenoxy]butanoic acid CAS Name: 2-[4-acetyl-3-[3-(3-bromopropoxy)propoxy]-2-propylphenoxy]butanoic acid IUPAC Name: 2-[4-acetyl-3-[3-(3-bromopropoxy)propoxy]-2-propylphenoxy]butanoic acid Traditional Name: 2-[4-acetyl-3-[3-(3-bromopropoxy)propoxy]-2-propyl-phenoxy]butyric acid Formula: C21H31BrO6 MolecularWeight: 459.37124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCOCCCBr)C(=O)C)OC(CC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCOCCCBr)C(=O)C)OC(CC)C(=O)O

InChI

InChI=1S/C21H31BrO6/c1-4-8-17-19(28-18(5-2)21(24)25)10-9-16(15(3)23)20(17)27-14-7-13-26-12-6-11-22/h9-10,18H,4-8,11-14H2,1-3H3,(H,24,25)