[6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl pyridine-4-carboxylate

Systemtic Name: [6-(hydroxymethyl)-1,2-dithiin-3-yl]methyl pyridine-4-carboxylate Openeye Name: [6-(hydroxymethyl)dithiin-3-yl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-(hydroxymethyl)-3-dithiinyl]methyl ester IUPAC Name: [6-(hydroxymethyl)dithiin-3-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (6-methyloldithiin-3-yl)methyl ester Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)OCC2=CC=C(SS2)CO

Isomeric SMILES

C1=CN=CC=C1C(=O)OCC2=CC=C(SS2)CO

InChI

InChI=1S/C12H11NO3S2/c14-7-10-1-2-11(18-17-10)8-16-12(15)9-3-5-13-6-4-9/h1-6,14H,7-8H2