2-methoxy-3-[2,4,6-tris(bromanyl)-3-cyano-phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[2,4,6-tris(bromanyl)-3-cyano-phenyl]propanoic acid Openeye Name: 2-methoxy-3-(2,4,6-tribromo-3-cyano-phenyl)propanoic acid CAS Name: 2-methoxy-3-(2,4,6-tribromo-3-cyanophenyl)propanoic acid IUPAC Name: 2-methoxy-3-(2,4,6-tribromo-3-cyanophenyl)propanoic acid Traditional Name: 2-methoxy-3-(2,4,6-tribromo-3-cyano-phenyl)propionic acid Formula: C11H8Br3NO3 MolecularWeight: 441.89812

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=C(C=C(C(=C1Br)C#N)Br)Br)C(=O)O

Isomeric SMILES

COC(CC1=C(C=C(C(=C1Br)C#N)Br)Br)C(=O)O

InChI

InChI=1S/C11H8Br3NO3/c1-18-9(11(16)17)2-5-7(12)3-8(13)6(4-15)10(5)14/h3,9H,2H2,1H3,(H,16,17)