2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-octyl-propanedioic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-octyl-propanedioic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methyl]-2-octyl-propanedioic acid CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-2-octylpropanedioic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methyl]-2-octylpropanedioic acid Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-2-octyl-malonic acid Formula: C18H24BrFO4 MolecularWeight: 403.283163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC1=C(C=C(C=C1)Br)F)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CC1=C(C=C(C=C1)Br)F)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H24BrFO4/c1-2-3-4-5-6-7-10-18(16(21)22,17(23)24)12-13-8-9-14(19)11-15(13)20/h8-9,11H,2-7,10,12H2,1H3,(H,21,22)(H,23,24)