3,6-bis(hexylsulfanyl)pyridine-2-carboxylic acid

Systemtic Name: 3,6-bis(hexylsulfanyl)pyridine-2-carboxylic acid Openeye Name: 3,6-bis(hexylsulfanyl)pyridine-2-carboxylic acid CAS Name: 3,6-bis(hexylthio)-2-pyridinecarboxylic acid IUPAC Name: 3,6-bis(hexylsulfanyl)pyridine-2-carboxylic acid Traditional Name: 3,6-bis(hexylthio)picolinic acid Formula: C18H29NO2S2 MolecularWeight: 355.55836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(N=C(C=C1)SCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCSC1=C(N=C(C=C1)SCCCCCC)C(=O)O

InChI

InChI=1S/C18H29NO2S2/c1-3-5-7-9-13-22-15-11-12-16(19-17(15)18(20)21)23-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3,(H,20,21)