4-chloranyl-6-methyl-2-methylsulfonyl-pyrimidine-5-sulfonic acid

Systemtic Name: 4-chloranyl-6-methyl-2-methylsulfonyl-pyrimidine-5-sulfonic acid Openeye Name: 4-chloro-6-methyl-2-methylsulfonyl-pyrimidine-5-sulfonic acid CAS Name: 4-chloro-6-methyl-2-methylsulfonyl-5-pyrimidinesulfonic acid IUPAC Name: 4-chloro-6-methyl-2-methylsulfonylpyrimidine-5-sulfonic acid Traditional Name: 4-chloro-2-mesyl-6-methyl-pyrimidine-5-sulfonic acid Formula: C6H7ClN2O5S2 MolecularWeight: 286.71318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)Cl)S(=O)(=O)O

InChI

InChI=1S/C6H7ClN2O5S2/c1-3-4(16(12,13)14)5(7)9-6(8-3)15(2,10)11/h1-2H3,(H,12,13,14)