4-[[5-[(4-bromophenyl)methyl]furan-2-yl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[5-[(4-bromophenyl)methyl]furan-2-yl]methyl]heptane-3,5-dione Openeye Name: 4-[[5-[(4-bromophenyl)methyl]-2-furyl]methyl]heptane-3,5-dione CAS Name: 4-[[5-[(4-bromophenyl)methyl]-2-furanyl]methyl]heptane-3,5-dione IUPAC Name: 4-[[5-[(4-bromophenyl)methyl]furan-2-yl]methyl]heptane-3,5-dione Traditional Name: 4-[[5-(4-bromobenzyl)-2-furyl]methyl]heptane-3,5-dione Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=C(O1)CC2=CC=C(C=C2)Br)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1=CC=C(O1)CC2=CC=C(C=C2)Br)C(=O)CC

InChI

InChI=1S/C19H21BrO3/c1-3-18(21)17(19(22)4-2)12-16-10-9-15(23-16)11-13-5-7-14(20)8-6-13/h5-10,17H,3-4,11-12H2,1-2H3