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

Systemtic Name: methyl 2-[4-(4-bromanylbutoxy)-3-chloranyl-phenyl]ethanoate Openeye Name: methyl 2-[4-(4-bromobutoxy)-3-chloro-phenyl]acetate CAS Name: 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetate Traditional Name: 2-[4-(4-bromobutoxy)-3-chloro-phenyl]acetic acid methyl ester Formula: C13H16BrClO3 MolecularWeight: 335.62134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)OCCCCBr)Cl

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)OCCCCBr)Cl

InChI

InChI=1S/C13H16BrClO3/c1-17-13(16)9-10-4-5-12(11(15)8-10)18-7-3-2-6-14/h4-5,8H,2-3,6-7,9H2,1H3