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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCS(=O)(=O)OC2=CC=NC=C2)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCS(=O)(=O)OC2=CC=NC=C2)Cl.[Na+]

InChI

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