potassium 4-[3,5-bis(oxidanylidene)hexyl]benzenesulfonate

Systemtic Name: potassium 4-[3,5-bis(oxidanylidene)hexyl]benzenesulfonate Openeye Name: potassium 4-(3,5-dioxohexyl)benzenesulfonate CAS Name: potassium 4-(3,5-dioxohexyl)benzenesulfonate IUPAC Name: potassium 4-(3,5-dioxohexyl)benzenesulfonate Traditional Name: potassium 4-(3,5-diketohexyl)besylate Formula: C12H13KO5S MolecularWeight: 308.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)CCC1=CC=C(C=C1)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC(=O)CC(=O)CCC1=CC=C(C=C1)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C12H14O5S.K/c1-9(13)8-11(14)5-2-10-3-6-12(7-4-10)18(15,16)17;/h3-4,6-7H,2,5,8H2,1H3,(H,15,16,17);/q;+1/p-1