3-[1-(4-bromophenyl)butyl]-2-oxidanyl-6-phenethyl-pyran-4-one

Systemtic Name: 3-[1-(4-bromophenyl)butyl]-2-oxidanyl-6-phenethyl-pyran-4-one Openeye Name: 3-[1-(4-bromophenyl)butyl]-2-hydroxy-6-phenethyl-pyran-4-one CAS Name: 3-[1-(4-bromophenyl)butyl]-2-hydroxy-6-phenethyl-4-pyranone IUPAC Name: 3-[1-(4-bromophenyl)butyl]-2-hydroxy-6-phenethylpyran-4-one Traditional Name: 3-[1-(4-bromophenyl)butyl]-2-hydroxy-6-phenethyl-pyran-4-one Formula: C23H23BrO3 MolecularWeight: 427.33092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)Br)C2=C(OC(=CC2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CCCC(C1=CC=C(C=C1)Br)C2=C(OC(=CC2=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C23H23BrO3/c1-2-6-20(17-10-12-18(24)13-11-17)22-21(25)15-19(27-23(22)26)14-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,20,26H,2,6,9,14H2,1H3