potassium 3-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]propane-1-sulfonate

Systemtic Name: potassium 3-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]propane-1-sulfonate Openeye Name: potassium 3-(4-benzoyl-3-hydroxy-phenoxy)propane-1-sulfonate CAS Name: potassium 3-(4-benzoyl-3-hydroxyphenoxy)-1-propanesulfonate IUPAC Name: potassium 3-(4-benzoyl-3-hydroxyphenoxy)propane-1-sulfonate Traditional Name: potassium 3-(4-benzoyl-3-hydroxy-phenoxy)propane-1-sulfonate Formula: C16H15KO6S MolecularWeight: 374.45

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCS(=O)(=O)[O-])O.[K+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCS(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C16H16O6S.K/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12;/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21);/q;+1/p-1