methyl 4-[2-[4-bromanyl-2,5-bis(oxidanyl)phenyl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-bromanyl-2,5-bis(oxidanyl)phenyl]ethyl]benzoate Openeye Name: methyl 4-[2-(4-bromo-2,5-dihydroxy-phenyl)ethyl]benzoate CAS Name: 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(4-bromo-2,5-dihydroxy-phenyl)ethyl]benzoic acid methyl ester Formula: C16H15BrO4 MolecularWeight: 351.1919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O

InChI

InChI=1S/C16H15BrO4/c1-21-16(20)11-5-2-10(3-6-11)4-7-12-8-15(19)13(17)9-14(12)18/h2-3,5-6,8-9,18-19H,4,7H2,1H3