6-(hydroxymethyl)-3-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethoxy]-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-3-[2-(3-methoxy-3-oxidanylidene-propyl)sulfanylethoxy]-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-[2-(3-methoxy-3-oxo-propyl)sulfanylethoxy]tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-[2-[(3-methoxy-3-oxopropyl)thio]ethoxy]-2-oxanolate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-[2-(3-methoxy-3-oxopropyl)sulfanylethoxy]oxan-2-olate Traditional Name: 4,5-dihydroxy-3-[2-[(3-keto-3-methoxy-propyl)thio]ethoxy]-6-methylol-tetrahydropyran-2-olate Formula: C12H21O8S- MolecularWeight: 325.35534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCOC1C(C(C(OC1[O-])CO)O)O

Isomeric SMILES

COC(=O)CCSCCOC1C(C(C(OC1[O-])CO)O)O

InChI

InChI=1S/C12H21O8S/c1-18-8(14)2-4-21-5-3-19-11-10(16)9(15)7(6-13)20-12(11)17/h7,9-13,15-16H,2-6H2,1H3/q-1