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

Systemtic Name: 3-(2-carbamothioylphenoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 3-(2-carbamothioylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 3-(2-carbamothioylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 3-(2-carbamothioylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 4,5-dihydroxy-6-methylol-3-(2-thiocarbamoylphenoxy)tetrahydropyran-2-olate Formula: C13H16NO6S- MolecularWeight: 314.33424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO6S/c14-12(21)6-3-1-2-4-7(6)19-11-10(17)9(16)8(5-15)20-13(11)18/h1-4,8-11,13,15-17H,5H2,(H2,14,21)/q-1