5-(4-bromophenyl)-3,3-dimethyl-pentanoic acid

Systemtic Name: 5-(4-bromophenyl)-3,3-dimethyl-pentanoic acid Openeye Name: 5-(4-bromophenyl)-3,3-dimethyl-pentanoic acid CAS Name: 5-(4-bromophenyl)-3,3-dimethylpentanoic acid IUPAC Name: 5-(4-bromophenyl)-3,3-dimethylpentanoic acid Traditional Name: 5-(4-bromophenyl)-3,3-dimethyl-valeric acid Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)Br)CC(=O)O

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)Br)CC(=O)O

InChI

InChI=1S/C13H17BrO2/c1-13(2,9-12(15)16)8-7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,16)