methyl 4-[3-(5-bromanyl-2-oxidanyl-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(5-bromanyl-2-oxidanyl-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(5-bromo-2-hydroxy-phenyl)propyl]benzoate CAS Name: 4-[3-(5-bromo-2-hydroxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-bromo-2-hydroxyphenyl)propyl]benzoate Traditional Name: 4-[3-(5-bromo-2-hydroxy-phenyl)propyl]benzoic acid methyl ester Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H17BrO3/c1-21-17(20)13-7-5-12(6-8-13)3-2-4-14-11-15(18)9-10-16(14)19/h5-11,19H,2-4H2,1H3