sodium phenyl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium phenyl 3-(4-chlorophenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium phenyl 3-(4-chlorophenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 3-(4-chlorophenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium phenyl 3-(4-chlorophenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-(4-chlorophenyl)-3-keto-propane-1-sulfonic acid phenyl ester Formula: C15H13ClNaO4S+ MolecularWeight: 347.76909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO4S.Na/c16-13-8-6-12(7-9-13)15(17)10-11-21(18,19)20-14-4-2-1-3-5-14;/h1-9H,10-11H2;/q;+1