sodium 1,4-di(icosoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 1,4-di(icosoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 1,4-di(icosoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 1,4-di(eicosoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 1,4-di(icosoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1,4-diarachyloxy-1,4-diketo-butane-2-sulfonate Formula: C44H85NaO7S MolecularWeight: 781.19627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C44H86O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-50-43(45)41-42(52(47,48)49)44(46)51-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h42H,3-41H2,1-2H3,(H,47,48,49);/q;+1/p-1