3-(5-bromanyl-2-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(5-bromanyl-2-oxidanyl-phenyl)propanoate Openeye Name: 3-(5-bromo-2-hydroxy-phenyl)propanoate CAS Name: 3-(5-bromo-2-hydroxyphenyl)propanoate IUPAC Name: 3-(5-bromo-2-hydroxyphenyl)propanoate Traditional Name: 3-(5-bromo-2-hydroxy-phenyl)propionate Formula: C9H8BrO3- MolecularWeight: 244.06202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)CCC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Br)CCC(=O)[O-])O

InChI

InChI=1S/C9H9BrO3/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5,11H,1,4H2,(H,12,13)/p-1