sodium [(E)-1-oxidanylhexadec-1-enyl] ethanoate sulfate

Systemtic Name: sodium [(E)-1-oxidanylhexadec-1-enyl] ethanoate sulfate Openeye Name: sodium [(E)-1-hydroxyhexadec-1-enyl] acetate sulfate CAS Name: sodium acetic acid [(E)-1-hydroxyhexadec-1-enyl] ester sulfate IUPAC Name: sodium [(E)-1-hydroxyhexadec-1-enyl] acetate sulfate Traditional Name: sodium acetic acid [(E)-1-hydroxyhexadec-1-enyl] ester sulfate Formula: C18H34NaO7S- MolecularWeight: 417.51313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=C(O)OC(=O)C.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC/C=C(\O)/OC(=O)C.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H34O3.Na.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17(2)19;;1-5(2,3)4/h16,20H,3-15H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2/b18-16+;;