5-hexadecoxy-2-(oxan-2-yloxymethyl)pyran-4-one

Systemtic Name: 5-hexadecoxy-2-(oxan-2-yloxymethyl)pyran-4-one Openeye Name: 5-hexadecoxy-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one CAS Name: 5-hexadecoxy-2-(2-oxanyloxymethyl)-4-pyranone IUPAC Name: 5-hexadecoxy-2-(oxan-2-yloxymethyl)pyran-4-one Traditional Name: 5-cetyloxy-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one Formula: C27H46O5 MolecularWeight: 450.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)COC2CCCCO2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)COC2CCCCO2

InChI

InChI=1S/C27H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-29-26-23-31-24(21-25(26)28)22-32-27-18-15-17-20-30-27/h21,23,27H,2-20,22H2,1H3