5-bromanyl-2-oxidanyl-6-phenethyl-3-(1-phenylpropyl)pyran-4-one

Systemtic Name: 5-bromanyl-2-oxidanyl-6-phenethyl-3-(1-phenylpropyl)pyran-4-one Openeye Name: 5-bromo-2-hydroxy-6-phenethyl-3-(1-phenylpropyl)pyran-4-one CAS Name: 5-bromo-2-hydroxy-6-phenethyl-3-(1-phenylpropyl)-4-pyranone IUPAC Name: 5-bromo-2-hydroxy-6-phenethyl-3-(1-phenylpropyl)pyran-4-one Traditional Name: 5-bromo-2-hydroxy-6-phenethyl-3-(1-phenylpropyl)pyran-4-one Formula: C22H21BrO3 MolecularWeight: 413.30434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO3/c1-2-17(16-11-7-4-8-12-16)19-21(24)20(23)18(26-22(19)25)14-13-15-9-5-3-6-10-15/h3-12,17,25H,2,13-14H2,1H3