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

Systemtic Name: 7-bromanyl-2-[3-(phenylcarbonyl)phenyl]heptanoic acid Openeye Name: 2-(3-benzoylphenyl)-7-bromo-heptanoic acid CAS Name: 2-(3-benzoylphenyl)-7-bromoheptanoic acid IUPAC Name: 2-(3-benzoylphenyl)-7-bromoheptanoic acid Traditional Name: 2-(3-benzoylphenyl)-7-bromo-enanthic acid Formula: C20H21BrO3 MolecularWeight: 389.28294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO3/c21-13-6-2-5-12-18(20(23)24)16-10-7-11-17(14-16)19(22)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,23,24)