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

Systemtic Name: 8-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]carbonylamino]octanoic acid Openeye Name: 8-[(3,5-dibromo-2-hydroxy-benzoyl)amino]octanoic acid CAS Name: 8-[[(3,5-dibromo-2-hydroxyphenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(3,5-dibromo-2-hydroxybenzoyl)amino]octanoic acid Traditional Name: 8-[(3,5-dibromo-2-hydroxy-benzoyl)amino]caprylic acid Formula: C15H19Br2NO4 MolecularWeight: 437.12366

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C(=O)NCCCCCCCC(=O)O)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)C(=O)NCCCCCCCC(=O)O)Br

InChI

InChI=1S/C15H19Br2NO4/c16-10-8-11(14(21)12(17)9-10)15(22)18-7-5-3-1-2-4-6-13(19)20/h8-9,21H,1-7H2,(H,18,22)(H,19,20)