sodium [2-(octadecanoylamino)-3-oxidanylidene-3-(tetradecylamino)propyl] sulfate

Systemtic Name: sodium [2-(octadecanoylamino)-3-oxidanylidene-3-(tetradecylamino)propyl] sulfate Openeye Name: sodium [2-(octadecanoylamino)-3-oxo-3-(tetradecylamino)propyl] sulfate CAS Name: sodium [3-oxo-2-(1-oxooctadecylamino)-3-(tetradecylamino)propyl] sulfate IUPAC Name: sodium [2-(octadecanoylamino)-3-oxo-3-(tetradecylamino)propyl] sulfate Traditional Name: sodium [3-keto-3-(myristylamino)-2-stearamido-propyl] sulfate Formula: C35H69N2NaO6S MolecularWeight: 668.98693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COS(=O)(=O)[O-])C(=O)NCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(COS(=O)(=O)[O-])C(=O)NCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C35H70N2O6S.Na/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34(38)37-33(32-43-44(40,41)42)35(39)36-31-29-27-25-23-21-16-14-12-10-8-6-4-2;/h33H,3-32H2,1-2H3,(H,36,39)(H,37,38)(H,40,41,42);/q;+1/p-1