3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)propanoic acid CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoic acid IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoic acid Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)propionic acid Formula: C10H11BrO4 MolecularWeight: 275.09594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)O)Br)O

InChI

InChI=1S/C10H11BrO4/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h4-5,14H,2-3H2,1H3,(H,12,13)