8-[[2-acetyloxy-3,5-bis(bromanyl)phenyl]carbonylamino]octanoic acid

Systemtic Name: 8-[[2-acetyloxy-3,5-bis(bromanyl)phenyl]carbonylamino]octanoic acid Openeye Name: 8-[(2-acetoxy-3,5-dibromo-benzoyl)amino]octanoic acid CAS Name: 8-[[(2-acetyloxy-3,5-dibromophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-acetyloxy-3,5-dibromobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-acetoxy-3,5-dibromo-benzoyl)amino]caprylic acid Formula: C17H21Br2NO5 MolecularWeight: 479.16034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(=O)NCCCCCCCC(=O)O)Br)Br

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(=O)NCCCCCCCC(=O)O)Br)Br

InChI

InChI=1S/C17H21Br2NO5/c1-11(21)25-16-13(9-12(18)10-14(16)19)17(24)20-8-6-4-2-3-5-7-15(22)23/h9-10H,2-8H2,1H3,(H,20,24)(H,22,23)