disodium 3-[octadecyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: disodium 3-[octadecyl-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: disodium 3-[octadecyl-(3-oxido-3-oxo-propyl)amino]propanoate CAS Name: disodium 3-[octadecyl-(3-oxido-3-oxopropyl)amino]propanoate IUPAC Name: disodium 3-[octadecyl-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: disodium 3-[(3-keto-3-oxido-propyl)-stearyl-amino]propionate Formula: C24H45NNa2O4 MolecularWeight: 457.59794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H47NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;;/h2-22H2,1H3,(H,26,27)(H,28,29);;/q;2*+1/p-2