potassium 1,4-di(docosoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: potassium 1,4-di(docosoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: potassium 1,4-di(docosoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: potassium 1,4-di(docosoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: potassium 1,4-di(docosoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: potassium 1,4-dibehenyloxy-1,4-diketo-butane-2-sulfonate Formula: C48H93KO7S MolecularWeight: 853.41112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C48H94O7S.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-54-47(49)45-46(56(51,52)53)48(50)55-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h46H,3-45H2,1-2H3,(H,51,52,53);/q;+1/p-1