7-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]heptanoic acid

Systemtic Name: 7-bromanyl-2-methyl-2-[3-(phenylcarbonyl)phenyl]heptanoic acid Openeye Name: 2-(3-benzoylphenyl)-7-bromo-2-methyl-heptanoic acid CAS Name: 2-(3-benzoylphenyl)-7-bromo-2-methylheptanoic acid IUPAC Name: 2-(3-benzoylphenyl)-7-bromo-2-methylheptanoic acid Traditional Name: 2-(3-benzoylphenyl)-7-bromo-2-methyl-enanthic acid Formula: C21H23BrO3 MolecularWeight: 403.30952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO3/c1-21(20(24)25,13-6-3-7-14-22)18-12-8-11-17(15-18)19(23)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,24,25)