methyl 2-[3-(4-bromanylbutoxy)phenyl]-2-oxidanyl-ethanoate

Systemtic Name: methyl 2-[3-(4-bromanylbutoxy)phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-[3-(4-bromobutoxy)phenyl]-2-hydroxy-acetate CAS Name: 2-[3-(4-bromobutoxy)phenyl]-2-hydroxyacetic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromobutoxy)phenyl]-2-hydroxyacetate Traditional Name: 2-[3-(4-bromobutoxy)phenyl]-2-hydroxy-acetic acid methyl ester Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC(=CC=C1)OCCCCBr)O

Isomeric SMILES

COC(=O)C(C1=CC(=CC=C1)OCCCCBr)O

InChI

InChI=1S/C13H17BrO4/c1-17-13(16)12(15)10-5-4-6-11(9-10)18-8-3-2-7-14/h4-6,9,12,15H,2-3,7-8H2,1H3