pyridin-3-yl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: pyridin-3-yl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: 3-pyridyl 3-(4-chlorophenyl)-3-oxo-propane-1-sulfonate CAS Name: 3-(4-chlorophenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: pyridin-3-yl 3-(4-chlorophenyl)-3-oxopropane-1-sulfonate Traditional Name: 3-(4-chlorophenyl)-3-keto-propane-1-sulfonic acid 3-pyridyl ester Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CN=C1)OS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO4S/c15-12-5-3-11(4-6-12)14(17)7-9-21(18,19)20-13-2-1-8-16-10-13/h1-6,8,10H,7,9H2