8-[2,4-bis(bromanyl)-6-cyano-3-oxidanyl-phenyl]octanoic acid

Systemtic Name: 8-[2,4-bis(bromanyl)-6-cyano-3-oxidanyl-phenyl]octanoic acid Openeye Name: 8-(2,4-dibromo-6-cyano-3-hydroxy-phenyl)octanoic acid CAS Name: 8-(2,4-dibromo-6-cyano-3-hydroxyphenyl)octanoic acid IUPAC Name: 8-(2,4-dibromo-6-cyano-3-hydroxyphenyl)octanoic acid Traditional Name: 8-(2,4-dibromo-6-cyano-3-hydroxy-phenyl)caprylic acid Formula: C15H17Br2NO3 MolecularWeight: 419.10838

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Br)O)Br)CCCCCCCC(=O)O)C#N

Isomeric SMILES

C1=C(C(=C(C(=C1Br)O)Br)CCCCCCCC(=O)O)C#N

InChI

InChI=1S/C15H17Br2NO3/c16-12-8-10(9-18)11(14(17)15(12)21)6-4-2-1-3-5-7-13(19)20/h8,21H,1-7H2,(H,19,20)