methyl 4-(bromomethyl)-3-butoxy-benzoate

Systemtic Name: methyl 4-(bromomethyl)-3-butoxy-benzoate Openeye Name: methyl 4-(bromomethyl)-3-butoxy-benzoate CAS Name: 4-(bromomethyl)-3-butoxybenzoic acid methyl ester IUPAC Name: methyl 4-(bromomethyl)-3-butoxybenzoate Traditional Name: 4-(bromomethyl)-3-butoxy-benzoic acid methyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OC)CBr

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OC)CBr

InChI

InChI=1S/C13H17BrO3/c1-3-4-7-17-12-8-10(13(15)16-2)5-6-11(12)9-14/h5-6,8H,3-4,7,9H2,1-2H3