3-[3,5-bis(bromanyl)-4-but-2-ynyl-phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-but-2-ynyl-phenyl]propanoic acid Openeye Name: 3-(3,5-dibromo-4-but-2-ynyl-phenyl)propanoic acid CAS Name: 3-(3,5-dibromo-4-but-2-ynylphenyl)propanoic acid IUPAC Name: 3-(3,5-dibromo-4-but-2-ynylphenyl)propanoic acid Traditional Name: 3-(3,5-dibromo-4-but-2-ynyl-phenyl)propionic acid Formula: C13H12Br2O2 MolecularWeight: 360.04118

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=C(C=C(C=C1Br)CCC(=O)O)Br

Isomeric SMILES

CC#CCC1=C(C=C(C=C1Br)CCC(=O)O)Br

InChI

InChI=1S/C13H12Br2O2/c1-2-3-4-10-11(14)7-9(8-12(10)15)5-6-13(16)17/h7-8H,4-6H2,1H3,(H,16,17)