4-[[2-[bis(bromanyl)methyl]phenyl]methyl]octadecanoic acid

Systemtic Name: 4-[[2-[bis(bromanyl)methyl]phenyl]methyl]octadecanoic acid Openeye Name: 4-[[2-(dibromomethyl)phenyl]methyl]octadecanoic acid CAS Name: 4-[[2-(dibromomethyl)phenyl]methyl]octadecanoic acid IUPAC Name: 4-[[2-(dibromomethyl)phenyl]methyl]octadecanoic acid Traditional Name: 4-[2-(dibromomethyl)benzyl]stearic acid Formula: C26H42Br2O2 MolecularWeight: 546.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC(=O)O)CC1=CC=CC=C1C(Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC(=O)O)CC1=CC=CC=C1C(Br)Br

InChI

InChI=1S/C26H42Br2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(19-20-25(29)30)21-23-17-14-15-18-24(23)26(27)28/h14-15,17-18,22,26H,2-13,16,19-21H2,1H3,(H,29,30)