6-(hydroxymethyl)-3-(4-isothiocyanatophenoxy)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-3-(4-isothiocyanatophenoxy)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(4-isothiocyanatophenoxy)tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(4-isothiocyanatophenoxy)-2-oxanolate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(4-isothiocyanatophenoxy)oxan-2-olate Traditional Name: 4,5-dihydroxy-3-(4-isothiocyanatophenoxy)-6-methylol-tetrahydropyran-2-olate Formula: C13H14NO6S- MolecularWeight: 312.31836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)OC2C(C(C(OC2[O-])CO)O)O

Isomeric SMILES

C1=CC(=CC=C1N=C=S)OC2C(C(C(OC2[O-])CO)O)O

InChI

InChI=1S/C13H14NO6S/c15-5-9-10(16)11(17)12(13(18)20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-17H,5H2/q-1