2-chloranyl-3,3-diethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid

Systemtic Name: 2-chloranyl-3,3-diethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid Openeye Name: 2-chloro-3,3-diethyl-2H-thiazol-3-ium-4,5-dicarboxylic acid CAS Name: 2-chloro-3,3-diethyl-2H-thiazol-3-ium-4,5-dicarboxylic acid IUPAC Name: 2-chloro-3,3-diethyl-2H-1,3-thiazol-3-ium-4,5-dicarboxylic acid Traditional Name: 2-chloro-3,3-diethyl-4-thiazolin-3-ium-4,5-dicarboxylic acid Formula: C9H13ClNO4S+ MolecularWeight: 266.72182

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(SC(=C1C(=O)O)C(=O)O)Cl)CC

Isomeric SMILES

CC[N+]1(C(SC(=C1C(=O)O)C(=O)O)Cl)CC

InChI

InChI=1S/C9H12ClNO4S/c1-3-11(4-2)5(7(12)13)6(8(14)15)16-9(11)10/h9H,3-4H2,1-2H3,(H-,12,13,14,15)/p+1