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

Systemtic Name: 2-(oxan-2-yloxymethyl)-5-(5-phenylsulfanylpentoxy)pyran-4-one Openeye Name: 5-(5-phenylsulfanylpentoxy)-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one CAS Name: 2-(2-oxanyloxymethyl)-5-[5-(phenylthio)pentoxy]-4-pyranone IUPAC Name: 2-(oxan-2-yloxymethyl)-5-(5-phenylsulfanylpentoxy)pyran-4-one Traditional Name: 5-[5-(phenylthio)pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H28O5S/c23-20-15-18(16-27-22-11-5-7-13-25-22)26-17-21(20)24-12-6-2-8-14-28-19-9-3-1-4-10-19/h1,3-4,9-10,15,17,22H,2,5-8,11-14,16H2