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

Systemtic Name: 5-hexadecoxy-2-(hydroxymethyl)pyran-4-one Openeye Name: 5-hexadecoxy-2-(hydroxymethyl)pyran-4-one CAS Name: 5-hexadecoxy-2-(hydroxymethyl)-4-pyranone IUPAC Name: 5-hexadecoxy-2-(hydroxymethyl)pyran-4-one Traditional Name: 5-cetyloxy-2-methylol-pyran-4-one Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)CO

InChI

InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-22-19-26-20(18-23)17-21(22)24/h17,19,23H,2-16,18H2,1H3