1-[4-(4-bromophenyl)phenyl]-5-oxidanyl-3-(3-phenylpropyl)pentane-1,4-dione

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-5-oxidanyl-3-(3-phenylpropyl)pentane-1,4-dione Openeye Name: 1-[4-(4-bromophenyl)phenyl]-5-hydroxy-3-(3-phenylpropyl)pentane-1,4-dione CAS Name: 1-[4-(4-bromophenyl)phenyl]-5-hydroxy-3-(3-phenylpropyl)pentane-1,4-dione IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-5-hydroxy-3-(3-phenylpropyl)pentane-1,4-dione Traditional Name: 1-[4-(4-bromophenyl)phenyl]-5-hydroxy-3-(3-phenylpropyl)pentane-1,4-dione Formula: C26H25BrO3 MolecularWeight: 465.3789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)CO

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)CO

InChI

InChI=1S/C26H25BrO3/c27-24-15-13-21(14-16-24)20-9-11-22(12-10-20)25(29)17-23(26(30)18-28)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-16,23,28H,4,7-8,17-18H2