sodium 2-[11-(11-dodecylsulfanylundecanoylamino)undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-(11-dodecylsulfanylundecanoylamino)undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-(11-dodecylsulfanylundecanoylamino)undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[11-(dodecylthio)-1-oxoundecyl]amino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-(11-dodecylsulfanylundecanoylamino)undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[11-(laurylthio)undecanoylamino]undecanoylamino]glutarate Formula: C39H72N2NaO6S- MolecularWeight: 720.05355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C39H74N2O6S.Na/c1-2-3-4-5-6-7-11-16-21-26-33-48-34-27-22-17-12-9-13-18-23-28-36(42)40-32-25-20-15-10-8-14-19-24-29-37(43)41-35(39(46)47)30-31-38(44)45;/h35H,2-34H2,1H3,(H,40,42)(H,41,43)(H,44,45)(H,46,47);/q;+1/p-2