methyl 4-(4-bromanylbutoxy)-3-methoxy-benzoate

Systemtic Name: methyl 4-(4-bromanylbutoxy)-3-methoxy-benzoate Openeye Name: methyl 4-(4-bromobutoxy)-3-methoxy-benzoate CAS Name: 4-(4-bromobutoxy)-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(4-bromobutoxy)-3-methoxybenzoate Traditional Name: 4-(4-bromobutoxy)-3-methoxy-benzoic acid methyl ester Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCCCCBr

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCCCCBr

InChI

InChI=1S/C13H17BrO4/c1-16-12-9-10(13(15)17-2)5-6-11(12)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3