sodium 1,3-bis(octadecanoylamino)propan-2-yl sulfate

Systemtic Name: sodium 1,3-bis(octadecanoylamino)propan-2-yl sulfate Openeye Name: sodium [2-(octadecanoylamino)-1-[(octadecanoylamino)methyl]ethyl] sulfate CAS Name: sodium 1,3-bis(1-oxooctadecylamino)propan-2-yl sulfate IUPAC Name: sodium 1,3-bis(octadecanoylamino)propan-2-yl sulfate Traditional Name: sodium [2-stearamido-1-(stearamidomethyl)ethyl] sulfate Formula: C39H77N2NaO6S MolecularWeight: 725.09325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCCCC)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCCCC)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C39H78N2O6S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(42)40-35-37(47-48(44,45)46)36-41-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H,40,42)(H,41,43)(H,44,45,46);/q;+1/p-1