6-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]hexanoic acid

Systemtic Name: 6-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]hexanoic acid Openeye Name: 2-(3-benzoylphenyl)-6-bromo-2-methyl-hexanoic acid CAS Name: 2-(3-benzoylphenyl)-6-bromo-2-methylhexanoic acid IUPAC Name: 2-(3-benzoylphenyl)-6-bromo-2-methylhexanoic acid Traditional Name: 2-(3-benzoylphenyl)-6-bromo-2-methyl-hexanoic acid Formula: C20H21BrO3 MolecularWeight: 389.28294

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCBr)(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCCCBr)(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H21BrO3/c1-20(19(23)24,12-5-6-13-21)17-11-7-10-16(14-17)18(22)15-8-3-2-4-9-15/h2-4,7-11,14H,5-6,12-13H2,1H3,(H,23,24)