ethyl 2-(3-bromanyl-2-oxidanyl-propoxy)-5-methoxy-benzoate

Systemtic Name: ethyl 2-(3-bromanyl-2-oxidanyl-propoxy)-5-methoxy-benzoate Openeye Name: ethyl 2-(3-bromo-2-hydroxy-propoxy)-5-methoxy-benzoate CAS Name: 2-(3-bromo-2-hydroxypropoxy)-5-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-2-hydroxypropoxy)-5-methoxybenzoate Traditional Name: 2-(3-bromo-2-hydroxy-propoxy)-5-methoxy-benzoic acid ethyl ester Formula: C13H17BrO5 MolecularWeight: 333.17508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)OC)OCC(CBr)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)OC)OCC(CBr)O

InChI

InChI=1S/C13H17BrO5/c1-3-18-13(16)11-6-10(17-2)4-5-12(11)19-8-9(15)7-14/h4-6,9,15H,3,7-8H2,1-2H3