2-chloranyl-7-oxidanidyl-4-oxidanylidene-7-propyl-thieno[2,3-b]pyridin-7-ium-5-carboxylic acid

Systemtic Name: 2-chloranyl-7-oxidanidyl-4-oxidanylidene-7-propyl-thieno[2,3-b]pyridin-7-ium-5-carboxylic acid Openeye Name: 2-chloro-7-oxido-4-oxo-7-propyl-thieno[2,3-b]pyridin-7-ium-5-carboxylic acid CAS Name: 2-chloro-7-oxido-4-oxo-7-propyl-5-thieno[2,3-b]pyridin-7-iumcarboxylic acid IUPAC Name: 2-chloro-7-oxido-4-oxo-7-propylthieno[2,3-b]pyridin-7-ium-5-carboxylic acid Traditional Name: 2-chloro-4-keto-7-oxido-7-propyl-thieno[2,3-b]pyridin-7-ium-5-carboxylic acid Formula: C11H10ClNO4S MolecularWeight: 287.7194

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C(=O)C2=C1SC(=C2)Cl)C(=O)O)[O-]

Isomeric SMILES

CCC[N+]1(C=C(C(=O)C2=C1SC(=C2)Cl)C(=O)O)[O-]

InChI

InChI=1S/C11H10ClNO4S/c1-2-3-13(17)5-7(11(15)16)9(14)6-4-8(12)18-10(6)13/h4-5H,2-3H2,1H3,(H,15,16)