2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]nicotinic acid Formula: C14H10ClNO4S MolecularWeight: 323.7515

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=CC=N3)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C=CC=N3)C(=O)O)Cl

InChI

InChI=1S/C14H10ClNO4S/c15-10-5-12-11(19-7-20-12)4-8(10)6-21-13-9(14(17)18)2-1-3-16-13/h1-5H,6-7H2,(H,17,18)