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

Systemtic Name: 5-bromanyl-2-oxidanyl-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-4-one Openeye Name: 2-(1-benzylpropyl)-3-bromo-6-hydroxy-5-(1-phenylpropyl)pyran-4-one CAS Name: 5-bromo-2-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)-4-pyranone IUPAC Name: 5-bromo-2-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl)pyran-4-one Traditional Name: 2-(1-benzylpropyl)-3-bromo-6-hydroxy-5-(1-phenylpropyl)pyran-4-one Formula: C24H25BrO3 MolecularWeight: 441.3575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=C(C(=O)C(=C(O2)O)C(CC)C3=CC=CC=C3)Br

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=C(C(=O)C(=C(O2)O)C(CC)C3=CC=CC=C3)Br

InChI

InChI=1S/C24H25BrO3/c1-3-17(15-16-11-7-5-8-12-16)23-21(25)22(26)20(24(27)28-23)19(4-2)18-13-9-6-10-14-18/h5-14,17,19,27H,3-4,15H2,1-2H3