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

Systemtic Name: 2-(hydroxymethyl)-5-(5-phenylsulfanylpentoxy)pyran-4-one Openeye Name: 2-(hydroxymethyl)-5-(5-phenylsulfanylpentoxy)pyran-4-one CAS Name: 2-(hydroxymethyl)-5-[5-(phenylthio)pentoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-5-(5-phenylsulfanylpentoxy)pyran-4-one Traditional Name: 2-methylol-5-[5-(phenylthio)pentoxy]pyran-4-one Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCOC2=COC(=CC2=O)CO

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCOC2=COC(=CC2=O)CO

InChI

InChI=1S/C17H20O4S/c18-12-14-11-16(19)17(13-21-14)20-9-5-2-6-10-22-15-7-3-1-4-8-15/h1,3-4,7-8,11,13,18H,2,5-6,9-10,12H2