sodium [5-(heptadecanoylamino)-2-(octadecanoylamino)phenyl]methyl sulfate

Systemtic Name: sodium [5-(heptadecanoylamino)-2-(octadecanoylamino)phenyl]methyl sulfate Openeye Name: sodium [5-(heptadecanoylamino)-2-(octadecanoylamino)phenyl]methyl sulfate CAS Name: sodium [5-(1-oxoheptadecylamino)-2-(1-oxooctadecylamino)phenyl]methyl sulfate IUPAC Name: sodium [5-(heptadecanoylamino)-2-(octadecanoylamino)phenyl]methyl sulfate Traditional Name: sodium [5-(heptadecanoylamino)-2-stearamido-benzyl] sulfate Formula: C42H75N2NaO6S MolecularWeight: 759.10947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)CCCCCCCCCCCCCCCC)COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)NC(=O)CCCCCCCCCCCCCCCC)COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C42H76N2O6S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(46)44-40-35-34-39(36-38(40)37-50-51(47,48)49)43-41(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34-36H,3-33,37H2,1-2H3,(H,43,45)(H,44,46)(H,47,48,49);/q;+1/p-1