5-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-2-(hydroxymethyl)pyran-4-one

Systemtic Name: 5-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]-2-(hydroxymethyl)pyran-4-one Openeye Name: 5-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-2-(hydroxymethyl)pyran-4-one CAS Name: 5-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-2-(hydroxymethyl)-4-pyranone IUPAC Name: 5-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-2-(hydroxymethyl)pyran-4-one Traditional Name: 5-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]-2-methylol-pyran-4-one Formula: C22H28O7 MolecularWeight: 404.45352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=COC(=CC2=O)CO

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=COC(=CC2=O)CO

InChI

InChI=1S/C22H28O7/c1-3-7-18-20(9-8-17(15(2)24)22(18)26)27-10-5-4-6-11-28-21-14-29-16(13-23)12-19(21)25/h8-9,12,14,23,26H,3-7,10-11,13H2,1-2H3