[(E)-nonatriacont-20-en-19-yl]azanium ethanoate

Systemtic Name: [(E)-nonatriacont-20-en-19-yl]azanium ethanoate Openeye Name: [(E)-1-octadecylhenicos-2-enyl]ammonium acetate CAS Name: [(E)-nonatriacont-20-en-19-yl]ammonium acetate IUPAC Name: [(E)-nonatriacont-20-en-19-yl]azanium acetate Traditional Name: [(E)-1-stearylheneicos-2-enyl]ammonium acetate Formula: C41H83NO2 MolecularWeight: 622.10322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC=CC(CCCCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC/C=C/C(CCCCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C39H79N.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-39(40)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h36,38-39H,3-35,37,40H2,1-2H3;1H3,(H,3,4)/b38-36+;