2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(6,9-dioxaspiro[4.4]nonan-8-ylmethylthio)nicotinic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OCC(O2)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CCC2(C1)OCC(O2)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C14H17NO4S/c16-13(17)11-4-3-7-15-12(11)20-9-10-8-18-14(19-10)5-1-2-6-14/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)