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

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

Systemtic Name:2-acetamido-3-[4-acetyloxy-2,6-bis(bromanyl)phenyl]propanoic acid
Openeye Name:2-acetamido-3-(4-acetoxy-2,6-dibromo-phenyl)propanoic acid
CAS Name:2-acetamido-3-(4-acetyloxy-2,6-dibromophenyl)propanoic acid
IUPAC Name:2-acetamido-3-(4-acetyloxy-2,6-dibromophenyl)propanoic acid
Traditional Name:2-acetamido-3-(4-acetoxy-2,6-dibromo-phenyl)propionic acid
Formula: C13H13Br2NO5
MolecularWeight: 423.05402
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13Br2NO5/c1-6(17)16-12(13(19)20)5-9-10(14)3-8(4-11(9)15)21-7(2)18/h3-4,12H,5H2,1-2H3,(H,16,17)(H,19,20)


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