5-[5-(2,5-dimethylfuran-3-yl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one

Systemtic Name: 5-[5-(2,5-dimethylfuran-3-yl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Openeye Name: 5-[5-[(2,5-dimethyl-3-furyl)sulfanyl]pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one CAS Name: 5-[5-[(2,5-dimethyl-3-furanyl)thio]pentoxy]-2-(2-oxanyloxymethyl)-4-pyranone IUPAC Name: 5-[5-(2,5-dimethylfuran-3-yl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Traditional Name: 5-[5-[(2,5-dimethyl-3-furyl)thio]pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one Formula: C22H30O6S MolecularWeight: 422.535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)SCCCCCOC2=COC(=CC2=O)COC3CCCCO3

Isomeric SMILES

CC1=CC(=C(O1)C)SCCCCCOC2=COC(=CC2=O)COC3CCCCO3

InChI

InChI=1S/C22H30O6S/c1-16-12-21(17(2)28-16)29-11-7-3-5-9-24-20-15-26-18(13-19(20)23)14-27-22-8-4-6-10-25-22/h12-13,15,22H,3-11,14H2,1-2H3