3,5-dibutyl-2-oxidanyl-6-(1-oxidanylidene-1-phenyl-hexan-2-yl)pyran-4-one

Systemtic Name: 3,5-dibutyl-2-oxidanyl-6-(1-oxidanylidene-1-phenyl-hexan-2-yl)pyran-4-one Openeye Name: 2-(1-benzoylpentyl)-3,5-dibutyl-6-hydroxy-pyran-4-one CAS Name: 3,5-dibutyl-2-hydroxy-6-(1-oxo-1-phenylhexan-2-yl)-4-pyranone IUPAC Name: 3,5-dibutyl-2-hydroxy-6-(1-oxo-1-phenylhexan-2-yl)pyran-4-one Traditional Name: 2-(1-benzoylpentyl)-3,5-dibutyl-6-hydroxy-pyran-4-one Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC(=C(C1=O)CCCC)O)C(CCCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(OC(=C(C1=O)CCCC)O)C(CCCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H34O4/c1-4-7-15-19(22(26)18-13-11-10-12-14-18)24-20(16-8-5-2)23(27)21(17-9-6-3)25(28)29-24/h10-14,19,28H,4-9,15-17H2,1-3H3