[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl N,N-diethylcarbamodithioate

Systemtic Name: [6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl N,N-diethylcarbamodithioate Openeye Name: [3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl ester IUPAC Name: [3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl ester Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(C(=O)C=C(O1)CO)O

Isomeric SMILES

CCN(CC)C(=S)SCC1=C(C(=O)C=C(O1)CO)O

InChI

InChI=1S/C12H17NO4S2/c1-3-13(4-2)12(18)19-7-10-11(16)9(15)5-8(6-14)17-10/h5,14,16H,3-4,6-7H2,1-2H3