2-ethylhexylazanium; (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 2-ethylhexylazanium; (9E,12E)-octadeca-9,12-dienoate Openeye Name: 2-ethylhexylammonium; (9E,12E)-octadeca-9,12-dienoate CAS Name: 2-ethylhexylammonium; (9E,12E)-octadeca-9,12-dienoate IUPAC Name: 2-ethylhexylazanium; (9E,12E)-octadeca-9,12-dienoate Traditional Name: 2-ethylhexylammonium; (9E,12E)-octadeca-9,12-dienoate Formula: C26H51NO2 MolecularWeight: 409.68864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[O-].CCCCC(CC)C[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H32O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-6-8(4-2)7-9/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);8H,3-7,9H2,1-2H3/b7-6+,10-9+;