4-chloranyl-2-ethylsulfonyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-2-ethylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-ethylsulfonyl-pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-ethylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-ethylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-esyl-pyrimidine-5-carboxylic acid Formula: C7H7ClN2O4S MolecularWeight: 250.65948

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)Cl)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)Cl)C(=O)O

InChI

InChI=1S/C7H7ClN2O4S/c1-2-15(13,14)7-9-3-4(6(11)12)5(8)10-7/h3H,2H2,1H3,(H,11,12)