2-acetamido-3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-acetamido-3-(2,6-dibromo-4-hydroxy-phenyl)propanoic acid CAS Name: 2-acetamido-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(2,6-dibromo-4-hydroxyphenyl)propanoic acid Traditional Name: 2-acetamido-3-(2,6-dibromo-4-hydroxy-phenyl)propionic acid Formula: C11H11Br2NO4 MolecularWeight: 381.01734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C=C(C=C1Br)O)Br)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=C(C=C(C=C1Br)O)Br)C(=O)O

InChI

InChI=1S/C11H11Br2NO4/c1-5(15)14-10(11(17)18)4-7-8(12)2-6(16)3-9(7)13/h2-3,10,16H,4H2,1H3,(H,14,15)(H,17,18)