(3-chloranyl-2,4,5-trimethyl-6-oxidanylidene-pyridin-1-yl) thiophene-2-sulfonate

Systemtic Name: (3-chloranyl-2,4,5-trimethyl-6-oxidanylidene-pyridin-1-yl) thiophene-2-sulfonate Openeye Name: (3-chloro-2,4,5-trimethyl-6-oxo-1-pyridyl) thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid (3-chloro-2,4,5-trimethyl-6-oxo-1-pyridinyl) ester IUPAC Name: (3-chloro-2,4,5-trimethyl-6-oxopyridin-1-yl) thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (5-chloro-2-keto-3,4,6-trimethyl-1-pyridyl) ester Formula: C12H12ClNO4S2 MolecularWeight: 333.81098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1Cl)C)OS(=O)(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=O)N(C(=C1Cl)C)OS(=O)(=O)C2=CC=CS2)C

InChI

InChI=1S/C12H12ClNO4S2/c1-7-8(2)12(15)14(9(3)11(7)13)18-20(16,17)10-5-4-6-19-10/h4-6H,1-3H3