5-heptoxy-2-(hydroxymethyl)pyran-4-one

Systemtic Name: 5-heptoxy-2-(hydroxymethyl)pyran-4-one Openeye Name: 5-heptoxy-2-(hydroxymethyl)pyran-4-one CAS Name: 5-heptoxy-2-(hydroxymethyl)-4-pyranone IUPAC Name: 5-heptoxy-2-(hydroxymethyl)pyran-4-one Traditional Name: 5-heptoxy-2-methylol-pyran-4-one Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=COC(=CC1=O)CO

Isomeric SMILES

CCCCCCCOC1=COC(=CC1=O)CO

InChI

InChI=1S/C13H20O4/c1-2-3-4-5-6-7-16-13-10-17-11(9-14)8-12(13)15/h8,10,14H,2-7,9H2,1H3