3-[2-(3-bromophenyl)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)propyl]-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[2-(3-bromophenyl)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl)propyl]-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-[2-(3-bromophenyl)-3-(2-hydroxy-6-methyl-4-oxo-pyran-3-yl)propyl]-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[2-(3-bromophenyl)-3-(2-hydroxy-6-methyl-4-oxo-3-pyranyl)propyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-[2-(3-bromophenyl)-3-(2-hydroxy-6-methyl-4-oxopyran-3-yl)propyl]-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[2-(3-bromophenyl)-3-(2-hydroxy-4-keto-6-methyl-pyran-3-yl)propyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)CC(CC2=C(OC(=CC2=O)C)O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)CC(CC2=C(OC(=CC2=O)C)O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrO6/c1-11-6-18(23)16(20(25)27-11)9-14(13-4-3-5-15(22)8-13)10-17-19(24)7-12(2)28-21(17)26/h3-8,14,25-26H,9-10H2,1-2H3