2-(4-bromanyl-2-methyl-phenyl)hexanoic acid

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)hexanoic acid Openeye Name: 2-(4-bromo-2-methyl-phenyl)hexanoic acid CAS Name: 2-(4-bromo-2-methylphenyl)hexanoic acid IUPAC Name: 2-(4-bromo-2-methylphenyl)hexanoic acid Traditional Name: 2-(4-bromo-2-methyl-phenyl)hexanoic acid Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=C(C=C1)Br)C)C(=O)O

Isomeric SMILES

CCCCC(C1=C(C=C(C=C1)Br)C)C(=O)O

InChI

InChI=1S/C13H17BrO2/c1-3-4-5-12(13(15)16)11-7-6-10(14)8-9(11)2/h6-8,12H,3-5H2,1-2H3,(H,15,16)