sodium 2,4-bis(docosanoylamino)benzenesulfonate

Systemtic Name: sodium 2,4-bis(docosanoylamino)benzenesulfonate Openeye Name: sodium 2,4-bis(docosanoylamino)benzenesulfonate CAS Name: sodium 2,4-bis(1-oxodocosylamino)benzenesulfonate IUPAC Name: sodium 2,4-bis(docosanoylamino)benzenesulfonate Traditional Name: sodium 2,4-bis(docosanoylamino)besylate Formula: C50H91N2NaO5S MolecularWeight: 855.32271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])NC(=O)CCCCCCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])NC(=O)CCCCCCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C50H92N2O5S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)51-46-43-44-48(58(55,56)57)47(45-46)52-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h43-45H,3-42H2,1-2H3,(H,51,53)(H,52,54)(H,55,56,57);/q;+1/p-1