sodium pyridin-2-yl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium pyridin-2-yl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium 2-pyridyl 3-(4-chlorophenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 3-(4-chlorophenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium pyridin-2-yl 3-(4-chlorophenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-(4-chlorophenyl)-3-keto-propane-1-sulfonic acid 2-pyridyl ester Formula: C14H12ClNNaO4S+ MolecularWeight: 348.75715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)OS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC=NC(=C1)OS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Cl.[Na+]

InChI

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