2-(1,3-dioxan-4-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(1,3-dioxan-4-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(1,3-dioxan-4-ylmethylthio)nicotinic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1COCOC1CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H13NO4S/c13-11(14)9-2-1-4-12-10(9)17-6-8-3-5-15-7-16-8/h1-2,4,8H,3,5-7H2,(H,13,14)